2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid

C22H19NO4 — CID 139785553

IUPAC2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H19NO4/c1-27-19-13-7-12-18(22(25)26)20(19)23-21(24)17-11-6-5-10-16(17)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyGTOISKGZLWPAIW-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.24
Rot. Bonds6

About 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid

2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid (PubChem CID 139785553) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid
PubChem CID139785553
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H19NO4/c1-27-19-13-7-12-18(22(25)26)20(19)23-21(24)17-11-6-5-10-16(17)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyGTOISKGZLWPAIW-UHFFFAOYSA-N
XLogP4.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
3-methoxy-2-[(2-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 118913463
ethane;3-methoxy-2-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoic acid
CID 91202780
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid?
The IUPAC name of 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid (CID 139785553) is 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid?
The canonical SMILES for 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1NC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid?
The InChIKey is GTOISKGZLWPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-27-19-13-7-12-18(22(25)26)20(19)23-21(24)17-11-6-5-10-16(17)14-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid?
2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid is sourced from PubChem (CID 139785553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).