5-(3-acetylanilino)-2-methylbenzoic acid

C16H15NO3 — CID 155290240

IUPAC5-(3-acetylanilino)-2-methylbenzoic acid
SMILESCC(=O)c1cccc(Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-10-6-7-14(9-15(10)16(19)20)17-13-5-3-4-12(8-13)11(2)18/h3-9,17H,1-2H3,(H,19,20)
InChIKeyIRJHOTAKYLYVDG-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.64
Rot. Bonds4

About 5-(3-acetylanilino)-2-methylbenzoic acid

5-(3-acetylanilino)-2-methylbenzoic acid (PubChem CID 155290240) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(3-acetylanilino)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(3-acetylanilino)-2-methylbenzoic acid
PubChem CID155290240
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-(3-acetylanilino)-2-methylbenzoic acid
SMILESCC(=O)c1cccc(Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-10-6-7-14(9-15(10)16(19)20)17-13-5-3-4-12(8-13)11(2)18/h3-9,17H,1-2H3,(H,19,20)
InChIKeyIRJHOTAKYLYVDG-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)benzoic acid
CID 11184397
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
4-methylbenzene-1,3-dicarboxylic acid;1-phenylethanone
CID 174537514
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
5-(4-cyanoanilino)-2-methylbenzoic acid
CID 63652832
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-2-methylbenzoic acid?
The IUPAC name of 5-(3-acetylanilino)-2-methylbenzoic acid (CID 155290240) is 5-(3-acetylanilino)-2-methylbenzoic acid.
What is the SMILES notation for 5-(3-acetylanilino)-2-methylbenzoic acid?
The canonical SMILES for 5-(3-acetylanilino)-2-methylbenzoic acid is CC(=O)c1cccc(Nc2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-acetylanilino)-2-methylbenzoic acid?
The InChIKey is IRJHOTAKYLYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-6-7-14(9-15(10)16(19)20)17-13-5-3-4-12(8-13)11(2)18/h3-9,17H,1-2H3,(H,19,20).
What are the key properties of 5-(3-acetylanilino)-2-methylbenzoic acid?
5-(3-acetylanilino)-2-methylbenzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-2-methylbenzoic acid is sourced from PubChem (CID 155290240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).