2-[4-(benzamidomethyl)phenyl]acetic acid

C16H15NO3 — CID 89464611

IUPAC2-[4-(benzamidomethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-15(19)10-12-6-8-13(9-7-12)11-17-16(20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyDHTPDDWMYBRKIA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-(benzamidomethyl)phenyl]acetic acid

2-[4-(benzamidomethyl)phenyl]acetic acid (PubChem CID 89464611) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(benzamidomethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(benzamidomethyl)phenyl]acetic acid
PubChem CID89464611
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[4-(benzamidomethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-15(19)10-12-6-8-13(9-7-12)11-17-16(20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyDHTPDDWMYBRKIA-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzamidomethyl)benzoic acid
CID 10879683
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
2-[4-(benzamidomethyl)phenyl]ethyl benzoate
CID 67530892
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzamidomethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(benzamidomethyl)phenyl]acetic acid (CID 89464611) is 2-[4-(benzamidomethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(benzamidomethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(benzamidomethyl)phenyl]acetic acid is O=C(O)Cc1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzamidomethyl)phenyl]acetic acid?
The InChIKey is DHTPDDWMYBRKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)10-12-6-8-13(9-7-12)11-17-16(20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-(benzamidomethyl)phenyl]acetic acid?
2-[4-(benzamidomethyl)phenyl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzamidomethyl)phenyl]acetic acid is sourced from PubChem (CID 89464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).