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

C16H14ClNO3 — CID 893334

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10-2-5-12(16(20)21)9-14(10)18-15(19)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyGJXMPASCTGPECF-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.53
Rot. Bonds4

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

3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid (PubChem CID 893334) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
PubChem CID893334
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-10-2-5-12(16(20)21)9-14(10)18-15(19)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyGJXMPASCTGPECF-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
3-[[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-4-methylbenzoic acid
CID 39164215
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834
methyl 3-[3-(4-chlorophenyl)propanoylamino]-4-methylbenzoate
CID 41498932
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
ethyl 3-[[2-(4-ethylphenyl)acetyl]amino]-4-methylbenzoate
CID 100545556

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid (CID 893334) is 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid?
The InChIKey is GJXMPASCTGPECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-2-5-12(16(20)21)9-14(10)18-15(19)8-11-3-6-13(17)7-4-11/h2-7,9H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid?
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).