3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid

C18H18ClNO3 — CID 4297390

IUPAC3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)CCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c19-15-9-7-14(8-10-15)16(12-18(22)23)20-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,20,21)(H,22,23)
InChIKeyCQMBWBPNWXHUKA-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.60
Rot. Bonds7

About 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid

3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid (PubChem CID 4297390) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid
PubChem CID4297390
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)CCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c19-15-9-7-14(8-10-15)16(12-18(22)23)20-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,20,21)(H,22,23)
InChIKeyCQMBWBPNWXHUKA-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)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-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid (CID 4297390) is 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid is O=C(O)CC(NC(=O)CCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The InChIKey is CQMBWBPNWXHUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-9-7-14(8-10-15)16(12-18(22)23)20-17(21)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid?
3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid has a molecular weight of 331.80 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid is sourced from PubChem (CID 4297390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).