5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid

C16H15NO3 — CID 21232994

IUPAC5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccccc2C)c(C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-10-7-8-14(13(9-10)16(19)20)17-15(18)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRKZLWGXQXANRMB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid

5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid (PubChem CID 21232994) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
PubChem CID21232994
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccccc2C)c(C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-10-7-8-14(13(9-10)16(19)20)17-15(18)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRKZLWGXQXANRMB-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid (CID 21232994) is 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid is Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid?
The InChIKey is RKZLWGXQXANRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-7-8-14(13(9-10)16(19)20)17-15(18)12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid?
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 21232994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).