3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid

C16H15NO4 — CID 107674655

IUPAC3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1O
InChIInChI=1S/C16H15NO4/c1-9-3-4-12(16(20)21)8-13(9)17-15(19)11-5-6-14(18)10(2)7-11/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyLXYRBBSRAYOINW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid

3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid (PubChem CID 107674655) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
PubChem CID107674655
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1O
InChIInChI=1S/C16H15NO4/c1-9-3-4-12(16(20)21)8-13(9)17-15(19)11-5-6-14(18)10(2)7-11/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyLXYRBBSRAYOINW-UHFFFAOYSA-N
XLogP2.96
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-[(4-hydroxy-3-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 107674941
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid (CID 107674655) is 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid?
The InChIKey is LXYRBBSRAYOINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-3-4-12(16(20)21)8-13(9)17-15(19)11-5-6-14(18)10(2)7-11/h3-8,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid?
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 107674655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).