2-(N-benzoyl-4-methylanilino)acetic acid

C16H15NO3 — CID 14484968

IUPAC2-(N-benzoyl-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-12-7-9-14(10-8-12)17(11-15(18)19)16(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyIZBVPKXZYVQSFQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.73
Rot. Bonds4

About 2-(N-benzoyl-4-methylanilino)acetic acid

2-(N-benzoyl-4-methylanilino)acetic acid (PubChem CID 14484968) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(N-benzoyl-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-benzoyl-4-methylanilino)acetic acid
PubChem CID14484968
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(N-benzoyl-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-12-7-9-14(10-8-12)17(11-15(18)19)16(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyIZBVPKXZYVQSFQ-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

Analyze 2-(N-benzoyl-4-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzoyl-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-benzoyl-4-methylanilino)acetic acid (CID 14484968) is 2-(N-benzoyl-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-benzoyl-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-benzoyl-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-benzoyl-4-methylanilino)acetic acid?
The InChIKey is IZBVPKXZYVQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12-7-9-14(10-8-12)17(11-15(18)19)16(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 2-(N-benzoyl-4-methylanilino)acetic acid?
2-(N-benzoyl-4-methylanilino)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-benzoyl-4-methylanilino)acetic acid is sourced from PubChem (CID 14484968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).