3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid

C23H20FNO3 — CID 3652082

IUPAC3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c24-19-13-11-16(12-14-19)20(15-21(26)27)25-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,25,28)(H,26,27)
InChIKeyUHIOJZQQVZDHTK-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.29
Rot. Bonds7

About 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid

3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 3652082) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID3652082
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c24-19-13-11-16(12-14-19)20(15-21(26)27)25-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,25,28)(H,26,27)
InChIKeyUHIOJZQQVZDHTK-UHFFFAOYSA-N
XLogP4.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-diphenylacetyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid (CID 3652082) is 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid is O=C(O)CC(NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is UHIOJZQQVZDHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-19-13-11-16(12-14-19)20(15-21(26)27)25-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,22H,15H2,(H,25,28)(H,26,27).
What are the key properties of 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid?
3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 377.42 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diphenylacetyl)amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 3652082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).