2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid

C16H15NO3 — CID 25192117

IUPAC2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKJGSVQLCVULXJU-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid

2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid (PubChem CID 25192117) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid
PubChem CID25192117
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKJGSVQLCVULXJU-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

Mefenamic Acid
CID 4044
Naptalam
CID 8594
Tamibarotene
CID 108143
p-Acetamidobenzoic acid
CID 19266
Ftaxilide
CID 71895
Ro 40-6055
CID 2126
4-(Dimethylamino)benzoic acid
CID 12092
Phthalanilic acid
CID 78458
2-(Benzoylamino)benzoic acid
CID 68482
4-(Hexadecylamino)benzoic acid
CID 47263
Amsilarotene
CID 9800306
Deanol Acetamidobenzoate
CID 19265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid (CID 25192117) is 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid is Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid?
The InChIKey is KJGSVQLCVULXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid?
2-methyl-4-[(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 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 25192117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).