5-phenyl-2-(propanoylamino)benzoic acid

C16H15NO3 — CID 155717934

IUPAC5-phenyl-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-2-15(18)17-14-9-8-12(10-13(14)16(19)20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyZFXCYMLJQKLJEL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.40
Rot. Bonds4

About 5-phenyl-2-(propanoylamino)benzoic acid

5-phenyl-2-(propanoylamino)benzoic acid (PubChem CID 155717934) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-phenyl-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name5-phenyl-2-(propanoylamino)benzoic acid
PubChem CID155717934
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-phenyl-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-2-15(18)17-14-9-8-12(10-13(14)16(19)20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyZFXCYMLJQKLJEL-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-5-phenylbenzoic acid
CID 70700127
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
2-(propanoylamino)-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 22033709
2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
CID 143234395
2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
CID 51040149
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(propanoylamino)benzoic acid
CID 50782232
2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
CID 46935642
2-(3-aminohexanoylamino)-4-phenylbenzoic acid
CID 57284160
5-[butyl(methyl)amino]-2-(propanoylamino)benzoic acid
CID 50782828
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(propanoylamino)benzoic acid?
The IUPAC name of 5-phenyl-2-(propanoylamino)benzoic acid (CID 155717934) is 5-phenyl-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 5-phenyl-2-(propanoylamino)benzoic acid?
The canonical SMILES for 5-phenyl-2-(propanoylamino)benzoic acid is CCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-phenyl-2-(propanoylamino)benzoic acid?
The InChIKey is ZFXCYMLJQKLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-15(18)17-14-9-8-12(10-13(14)16(19)20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-phenyl-2-(propanoylamino)benzoic acid?
5-phenyl-2-(propanoylamino)benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 155717934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).