(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid

C16H14FNO3 — CID 717556

IUPAC(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyWLUWCIYANRIZHX-CQSZACIVSA-N
MW287.29 g/mol
LogP2.77
Rot. Bonds5

About (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid

(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid (PubChem CID 717556) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
PubChem CID717556
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyWLUWCIYANRIZHX-CQSZACIVSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid (CID 717556) is (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid is O=C(O)C[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid?
The InChIKey is WLUWCIYANRIZHX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid?
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 717556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).