N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide

C17H17ClN2O2 — CID 18588767

IUPACN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyYGBWSSAWHKOWIB-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.32
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide

N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide (PubChem CID 18588767) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide
PubChem CID18588767
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyYGBWSSAWHKOWIB-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide 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 N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide (CID 18588767) is N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide?
The InChIKey is YGBWSSAWHKOWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-9-5-4-8-14(15)12-20-17(22)16(21)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide?
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 18588767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).