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

C22H19ClN2O2 — CID 18588839

IUPACN'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O2/c23-19-14-8-7-13-18(19)15-24-21(26)22(27)25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,26)(H,25,27)
InChIKeyPPYGHZYISJQVNZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.86
Rot. Bonds5

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

N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide (PubChem CID 18588839) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide
PubChem CID18588839
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O2/c23-19-14-8-7-13-18(19)15-24-21(26)22(27)25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,26)(H,25,27)
InChIKeyPPYGHZYISJQVNZ-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzhydryl-N-[(2-chlorophenyl)methyl]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'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide (CID 18588839) is N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is PPYGHZYISJQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-19-14-8-7-13-18(19)15-24-21(26)22(27)25-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide?
N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 378.86 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 18588839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).