2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid

C23H19ClN2O4 — CID 17361899

IUPAC2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c1-14-6-9-16(22(28)26-19-5-3-2-4-18(19)23(29)30)13-20(14)25-21(27)12-15-7-10-17(24)11-8-15/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyRJGMVJSDNYSMSK-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.78
Rot. Bonds6

About 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid

2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid (PubChem CID 17361899) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
PubChem CID17361899
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c1-14-6-9-16(22(28)26-19-5-3-2-4-18(19)23(29)30)13-20(14)25-21(27)12-15-7-10-17(24)11-8-15/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyRJGMVJSDNYSMSK-UHFFFAOYSA-N
XLogP4.78
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic 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

3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 31967245
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid (CID 17361899) is 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid is Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid?
The InChIKey is RJGMVJSDNYSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-14-6-9-16(22(28)26-19-5-3-2-4-18(19)23(29)30)13-20(14)25-21(27)12-15-7-10-17(24)11-8-15/h2-11,13H,12H2,1H3,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid?
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid has a molecular weight of 422.87 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid is sourced from PubChem (CID 17361899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).