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

C16H15NO4 — CID 115411059

IUPAC4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(10-12)17-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZFRZTCSDNFLJNE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.57
Rot. Bonds5

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

4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 115411059) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
PubChem CID115411059
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(10-12)17-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZFRZTCSDNFLJNE-UHFFFAOYSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
2-[3-(cyclopropylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411585
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
2-[2-[2-(cyclobutanecarbonylamino)-5-methoxyanilino]-2-oxoethyl]benzoic acid
CID 56762767
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid (CID 115411059) is 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is ZFRZTCSDNFLJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-12-7-8-13(16(19)20)14(10-12)17-15(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid?
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 115411059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).