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Chemical ID: 6466819

Chemical ID:

6466819

Name [?]:

2-(3,4-dimethylbenzoyl)amino-5-methyl-benzoic acid

SMILES [?]:

Cc1ccc(c(c1)C(=O)O)NC(=O)c2ccc(c(c2)C)C

InChi [?]:

InChI=1/C17H17NO3/c1-10-4-7-15(14(8-10)17(20)21)18-16(19)13-6-5-11(2)12(3)9-13/h4-9H,1-3H3,(H,18,19)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,3,16,15,4,7,19,2,17,18,14,6,5,12,8,11,13,9,10/E:(20,21)/rA:21nCCCCCCCCOONCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.96457
Area:	481.192
Solvation:	-2.06523
Coulombic:	-50.7447

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	283.322
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.56
LogP (Chemaxon):	4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value