3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid

C17H16FNO3 — CID 16777891

IUPAC3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-11-7-8-13(9-14(11)18)17(22)19-15(10-16(20)21)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyJGVXGBKMBLSYQU-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.08
Rot. Bonds5

About 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid

3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 16777891) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
PubChem CID16777891
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-11-7-8-13(9-14(11)18)17(22)19-15(10-16(20)21)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyJGVXGBKMBLSYQU-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
ethyl 3-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate
CID 60590432
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid (CID 16777891) is 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid is Cc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is JGVXGBKMBLSYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-11-7-8-13(9-14(11)18)17(22)19-15(10-16(20)21)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid?
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 301.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 16777891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).