4-chloro-2-[(2-phenylacetyl)amino]benzoic acid

C15H12ClNO3 — CID 3880553

IUPAC4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyIGPDGLKVOMWALS-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid

4-chloro-2-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 3880553) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
PubChem CID3880553
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyIGPDGLKVOMWALS-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
2-[[2-[3-(4-butylphenyl)phenyl]acetyl]amino]-4-chlorobenzoic acid
CID 146620035
4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
CID 51051496
4-chloro-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
CID 17341374
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
4-chloro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28777632
methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
CID 10023622
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid (CID 3880553) is 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid is O=C(Cc1ccccc1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is IGPDGLKVOMWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid?
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 3880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).