3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid

C16H15NO3 — CID 16777399

IUPAC3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H15NO3/c1-10-3-5-12(6-4-10)15(18)17-14-8-7-13(16(19)20)9-11(14)2/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyMHXHLCYRYDSADS-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid

3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 16777399) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID16777399
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H15NO3/c1-10-3-5-12(6-4-10)15(18)17-14-8-7-13(16(19)20)9-11(14)2/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyMHXHLCYRYDSADS-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

3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 106703618
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid (CID 16777399) is 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is MHXHLCYRYDSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-3-5-12(6-4-10)15(18)17-14-8-7-13(16(19)20)9-11(14)2/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid?
3-methyl-4-[(4-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 3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 16777399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).