3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid

C16H15NO3 — CID 17127022

IUPAC3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(10-14)16(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUDPHQZXDPDNEQS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.87
Rot. Bonds4

About 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid

3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 17127022) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
PubChem CID17127022
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1cccc(CC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(10-14)16(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyUDPHQZXDPDNEQS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid (CID 17127022) is 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid is Cc1cccc(CC(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is UDPHQZXDPDNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(10-14)16(19)20/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid?
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 17127022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).