3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide

C21H24ClNO2 — CID 45171021

IUPAC3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C21H24ClNO2/c1-23(19-11-13-25-14-12-19)21(24)15-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19-20H,11-15H2,1H3
InChIKeyFECTUKXUJGNSNN-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide

3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide (PubChem CID 45171021) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide
PubChem CID45171021
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C21H24ClNO2/c1-23(19-11-13-25-14-12-19)21(24)15-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19-20H,11-15H2,1H3
InChIKeyFECTUKXUJGNSNN-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide 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)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide (CID 45171021) is 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide is CN(C(=O)CC(c1ccccc1)c1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide?
The InChIKey is FECTUKXUJGNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-23(19-11-13-25-14-12-19)21(24)15-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,19-20H,11-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide?
3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide has a molecular weight of 357.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-(oxan-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 45171021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).