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57187-42-5

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Basic Information
CAS No.: 57187-42-5
Name: N-[2-(1,3-Dihudro-1,3-dioxo-2H-isoindolys)]2-hydroxybenzoylamide
Article Data: 7
Molecular Structure:
Molecular Structure of 57187-42-5 (N-[2-(1,3-Dihudro-1,3-dioxo-2H-isoindolys)]2-hydroxybenzoylamide)
Formula: C15H10N2O4
Molecular Weight: 282.255
Synonyms: N-Salicylamidophthalimide;N-[2-(1,3-Dihudro-1,3-dioxo-2H-isoindolys)]2-hydroxybenzoylamide;
Density: 1.54 g/cm3
PSA: 86.71000
LogP: 1.66200
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Specification

The systematic name of N-[2-(1,3-Dihudro-1,3-dioxo-2H-isoindolys)]2-hydroxybenzoylamide is N-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-hydroxybenzamide. With the CAS registry number 57187-42-5, it is also named as Benzamide,N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-hydroxy-. In addition, its molecular formula is C15H10N2O4 and its molecular weight is 282.25. 

The other characteristics of N-[2-(1,3-Dihudro-1,3-dioxo-2H-isoindolys)]2-hydroxybenzoylamide can be summarized as: (1)Nominal mass: 282; (2)Average mass: 282.2509; (3)Monoisotopic mass: 282.064057; (4)ACD/LogP: 1.37; (5)# of Rule of 5 Violations: 0; (6)ACD/LogD (pH 5.5): 1.37; (7)ACD/LogD (pH 7.4): 1.31; (8)ACD/BCF (pH 5.5): 6.5; (9)ACD/BCF (pH 7.4): 5.61; (10)ACD/KOC (pH 5.5): 132.79; (11)ACD/KOC (pH 7.4): 114.58; (12)H bond acceptors: 6; (13)H bond donors: 2; (14)Freely Rotating Bonds: 3; (15)Polar Surface Area: 66.92 Å2; (16)Index of Refraction: 1.728; (17)Molar Refractivity: 72.71 cm3; (18)Molar Volume: 182.5 cm3; (19)Polarizability: 28.82×10-24cm3; (20)Surface Tension: 83.4 dyne/cm; (21)Density: 1.54 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2c1ccccc1C(=O)N2NC(=O)c3ccc(O)cc3
(2)InChI:InChI=1/C15H10N2O4/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8,18H,(H,16,19)
(3)InChIKey:YAFITMBXGCKHLT-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C15H10N2O4/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8,18H,(H,16,19)
(5)Std. InChIKey:YAFITMBXGCKHLT-UHFFFAOYSA-N