2-methyl-5-[(2-phenylacetyl)amino]benzoic acid

C16H15NO3 — CID 63652253

IUPAC2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-11-7-8-13(10-14(11)16(19)20)17-15(18)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyRBFPRFASULWYDL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid

2-methyl-5-[(2-phenylacetyl)amino]benzoic acid (PubChem CID 63652253) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
PubChem CID63652253
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-11-7-8-13(10-14(11)16(19)20)17-15(18)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyRBFPRFASULWYDL-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

5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
CID 63654718
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
2,3-dimethyl-5-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 63020674
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid (CID 63652253) is 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid is Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid?
The InChIKey is RBFPRFASULWYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-7-8-13(10-14(11)16(19)20)17-15(18)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid?
2-methyl-5-[(2-phenylacetyl)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 2-methyl-5-[(2-phenylacetyl)amino]benzoic acid is sourced from PubChem (CID 63652253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).