2-(N-(3-methylbenzoyl)anilino)acetic acid

C16H15NO3 — CID 28765017

IUPAC2-(N-(3-methylbenzoyl)anilino)acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12-6-5-7-13(10-12)16(20)17(11-15(18)19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyZTFLPNBVWKRERN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.73
Rot. Bonds4

About 2-(N-(3-methylbenzoyl)anilino)acetic acid

2-(N-(3-methylbenzoyl)anilino)acetic acid (PubChem CID 28765017) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(N-(3-methylbenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methylbenzoyl)anilino)acetic acid
PubChem CID28765017
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(N-(3-methylbenzoyl)anilino)acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12-6-5-7-13(10-12)16(20)17(11-15(18)19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyZTFLPNBVWKRERN-UHFFFAOYSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
2-methyl-3-(N-(3-methylbenzoyl)anilino)propanoic acid
CID 82321596
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methylbenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-methylbenzoyl)anilino)acetic acid (CID 28765017) is 2-(N-(3-methylbenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methylbenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-methylbenzoyl)anilino)acetic acid is Cc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(N-(3-methylbenzoyl)anilino)acetic acid?
The InChIKey is ZTFLPNBVWKRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12-6-5-7-13(10-12)16(20)17(11-15(18)19)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 2-(N-(3-methylbenzoyl)anilino)acetic acid?
2-(N-(3-methylbenzoyl)anilino)acetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methylbenzoyl)anilino)acetic acid is sourced from PubChem (CID 28765017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).