N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide

C18H20ClNO2 — CID 7688715

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-17-9-4-14(5-10-17)6-11-18(21)20-13-12-15-2-7-16(19)8-3-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21)
InChIKeyVFXLQJCFNWSZLI-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 7688715) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID7688715
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-17-9-4-14(5-10-17)6-11-18(21)20-13-12-15-2-7-16(19)8-3-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21)
InChIKeyVFXLQJCFNWSZLI-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide 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-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 7688715) is N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is VFXLQJCFNWSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-22-17-9-4-14(5-10-17)6-11-18(21)20-13-12-15-2-7-16(19)8-3-15/h2-5,7-10H,6,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7688715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).