2-(2-benzoylanilino)-3-methylbenzoic acid

C21H17NO3 — CID 22294681

IUPAC2-(2-benzoylanilino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-14-8-7-12-17(21(24)25)19(14)22-18-13-6-5-11-16(18)20(23)15-9-3-2-4-10-15/h2-13,22H,1H3,(H,24,25)
InChIKeyGKWZKVONSPSIEX-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.67
Rot. Bonds5

About 2-(2-benzoylanilino)-3-methylbenzoic acid

2-(2-benzoylanilino)-3-methylbenzoic acid (PubChem CID 22294681) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2-benzoylanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-benzoylanilino)-3-methylbenzoic acid
PubChem CID22294681
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-(2-benzoylanilino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-14-8-7-12-17(21(24)25)19(14)22-18-13-6-5-11-16(18)20(23)15-9-3-2-4-10-15/h2-13,22H,1H3,(H,24,25)
InChIKeyGKWZKVONSPSIEX-UHFFFAOYSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

CID 10739949
CID 10739949
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
[2-[(4-amino-5-methyl-3-pyridinyl)amino]phenyl]-phenylmethanone
CID 54499105
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
2-(4-methoxyanilino)-3-methylbenzoic acid
CID 174942223
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylanilino)-3-methylbenzoic acid?
The IUPAC name of 2-(2-benzoylanilino)-3-methylbenzoic acid (CID 22294681) is 2-(2-benzoylanilino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(2-benzoylanilino)-3-methylbenzoic acid?
The canonical SMILES for 2-(2-benzoylanilino)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylanilino)-3-methylbenzoic acid?
The InChIKey is GKWZKVONSPSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-8-7-12-17(21(24)25)19(14)22-18-13-6-5-11-16(18)20(23)15-9-3-2-4-10-15/h2-13,22H,1H3,(H,24,25).
What are the key properties of 2-(2-benzoylanilino)-3-methylbenzoic acid?
2-(2-benzoylanilino)-3-methylbenzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylanilino)-3-methylbenzoic acid is sourced from PubChem (CID 22294681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).