3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid

C16H13F2NO3 — CID 4558174

IUPAC3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3/c17-12-5-1-10(2-6-12)14(9-15(20)21)19-16(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyKVCLJVWOAWYRGT-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.91
Rot. Bonds5

About 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid

3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 4558174) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID4558174
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3/c17-12-5-1-10(2-6-12)14(9-15(20)21)19-16(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyKVCLJVWOAWYRGT-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
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
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
(3S)-3-[[(2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 9406045
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid (CID 4558174) is 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid is O=C(O)CC(NC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is KVCLJVWOAWYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-12-5-1-10(2-6-12)14(9-15(20)21)19-16(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,22)(H,20,21).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid?
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 305.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 4558174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).