5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid

C22H20N2O3 — CID 141427341

IUPAC5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C22H20N2O3/c1-23-19-13-12-17(14-18(19)22(26)27)21(25)24-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25)(H,26,27)
InChIKeyMINMPXCTRATWAM-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.95
Rot. Bonds6

About 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid

5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid (PubChem CID 141427341) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid.

Molecular Properties

Compound Name5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
PubChem CID141427341
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C22H20N2O3/c1-23-19-13-12-17(14-18(19)22(26)27)21(25)24-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25)(H,26,27)
InChIKeyMINMPXCTRATWAM-UHFFFAOYSA-N
XLogP3.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
3-but-1-en-2-yl-N-[cyclohexyl(phenyl)methyl]-4-(methylamino)benzamide
CID 123296163
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84574553
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
CID 88970176
CID 88970176
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid?
The IUPAC name of 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid (CID 141427341) is 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid.
What is the SMILES notation for 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid?
The canonical SMILES for 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid is CNc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid?
The InChIKey is MINMPXCTRATWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-23-19-13-12-17(14-18(19)22(26)27)21(25)24-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid?
5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylcarbamoyl)-2-(methylamino)benzoic acid is sourced from PubChem (CID 141427341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).