sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate

C17H15ClNNaO3 — CID 23676093

IUPACsodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NC(Cc1ccc(Cl)cc1)C(=O)[O-].[Na+]
InChIInChI=1S/C17H16ClNO3.Na/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12;/h1-9,15H,10-11H2,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyHXFIKVDSHQWVRM-UHFFFAOYSA-M
MW339.75 g/mol
LogP-1.64
Rot. Bonds6

About sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate

sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate (PubChem CID 23676093) has the molecular formula C17H15ClNNaO3 and a molecular weight of 339.75 g/mol. Its IUPAC name is sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Namesodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate
PubChem CID23676093
Molecular FormulaC17H15ClNNaO3
Molecular Weight339.75 g/mol
Exact Mass339.06
IUPAC Namesodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NC(Cc1ccc(Cl)cc1)C(=O)[O-].[Na+]
InChIInChI=1S/C17H16ClNO3.Na/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12;/h1-9,15H,10-11H2,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyHXFIKVDSHQWVRM-UHFFFAOYSA-M
XLogP-1.64
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate 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 sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate (CID 23676093) is sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate is O=C(Cc1ccccc1)NC(Cc1ccc(Cl)cc1)C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate?
The InChIKey is HXFIKVDSHQWVRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO3.Na/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12;/h1-9,15H,10-11H2,(H,19,20)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate?
sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate has a molecular weight of 339.75 g/mol, XLogP of -1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(4-chlorophenyl)-2-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 23676093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).