N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C20H22ClNO3 — CID 2608525

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyRXPZYQUWQQHLHW-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 2608525) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID2608525
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyRXPZYQUWQQHLHW-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]acetamide
CID 8928835
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796041
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4786393
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 2608525) is N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is RXPZYQUWQQHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 359.85 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2608525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).