Name: 4-(2-Chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-1-Piperidinecarboxamide
SKU: 1032229-33-6

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Basic Information

Molecular Structure:
CAS No.:	1032229-33-6
Name:	4-(2-Chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-1-Piperidinecarboxamide

Formula:	C₂₀H₂₂ClN₃O₃
Molecular Weight:	387.866
Synonyms:	1-Piperidinecarboxamide, 4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-;
Density:	1.302 g/cm³
Boiling Point:	633.5 °C at 760 mmHg
Flash Point:	336.9 °C
PSA:	70.67000
LogP:	4.17670

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Specification

This chemical is called 4-(2-Chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-1-piperidinecarboxamide, and it can also be named as 1-Piperidinecarboxamide, 4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-. With the molecular formula of C₂₀H₂₂ClN₃O₃, its molecular weight is 387.86. The CAS registry number of this chemical is 1032229-33-6.

Other characteristics of the 4-(2-Chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]-1-piperidinecarboxamide can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 70.67 Å²; (9)Index of Refraction: 1.624; (10)Molar Refractivity: 105.19 cm³; (11)Molar Volume: 297.8 cm³; (12)Polarizability: 41.7×10^-24cm³; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.302 g/cm³; (15)Flash Point: 336.9 °C; (16)Enthalpy of Vaporization: 93.64 kJ/mol; (17)Boiling Point: 633.5 °C at 760 mmHg; (18)Vapour Pressure: 5.93E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CNC(=O)c1cccc(c1)NC(=O)N2CCC(CC2)Oc3ccccc3Cl
2.InChI: InChI=1/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
3.InChIKey: DPYTYQFYDLYWHZ-UHFFFAOYAL
4.Std. InChI: InChI=1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
5.Std. InChIKey: DPYTYQFYDLYWHZ-UHFFFAOYSA-N