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

C16H14ClNO3 — CID 974933

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-10-13(16(20)21)3-2-4-14(10)18-15(19)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyUPOIBBRILQUNMO-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.53
Rot. Bonds4

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

3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 974933) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
PubChem CID974933
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-10-13(16(20)21)3-2-4-14(10)18-15(19)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyUPOIBBRILQUNMO-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

3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823
3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
CID 22306821
2,4-dichloro-5-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 28666359
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
ethyl 2-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzoate
CID 28634215
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid (CID 974933) is 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid is Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)O.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is UPOIBBRILQUNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-13(16(20)21)3-2-4-14(10)18-15(19)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid?
3-[[2-(4-chlorophenyl)acetyl]amino]-2-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]-2-methylbenzoic acid is sourced from PubChem (CID 974933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).