3-(benzamidomethyl)-4-methylbenzoic acid

C16H15NO3 — CID 178053095

IUPAC3-(benzamidomethyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1CNC(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11-7-8-13(16(19)20)9-14(11)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyVZYJTVCHABVKFY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds4

About 3-(benzamidomethyl)-4-methylbenzoic acid

3-(benzamidomethyl)-4-methylbenzoic acid (PubChem CID 178053095) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(benzamidomethyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(benzamidomethyl)-4-methylbenzoic acid
PubChem CID178053095
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(benzamidomethyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1CNC(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11-7-8-13(16(19)20)9-14(11)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyVZYJTVCHABVKFY-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
3-benzyl-4-methylbenzoic acid
CID 22349488
4-(benzamidomethyl)benzoic acid
CID 10879683
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidomethyl)-4-methylbenzoic acid?
The IUPAC name of 3-(benzamidomethyl)-4-methylbenzoic acid (CID 178053095) is 3-(benzamidomethyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(benzamidomethyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(benzamidomethyl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1CNC(=O)c1ccccc1.
What is the InChIKey of 3-(benzamidomethyl)-4-methylbenzoic acid?
The InChIKey is VZYJTVCHABVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-7-8-13(16(19)20)9-14(11)10-17-15(18)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(benzamidomethyl)-4-methylbenzoic acid?
3-(benzamidomethyl)-4-methylbenzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidomethyl)-4-methylbenzoic acid is sourced from PubChem (CID 178053095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).