N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide

C18H20ClNO — CID 38019898

IUPACN-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-14-4-6-16(7-5-14)13-18(21)20-12-2-3-15-8-10-17(19)11-9-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyYOAURDVPKIGHRZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.94
Rot. Bonds6

About N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide

N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 38019898) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
PubChem CID38019898
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO/c1-14-4-6-16(7-5-14)13-18(21)20-12-2-3-15-8-10-17(19)11-9-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyYOAURDVPKIGHRZ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide 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-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide (CID 38019898) is N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is YOAURDVPKIGHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-14-4-6-16(7-5-14)13-18(21)20-12-2-3-15-8-10-17(19)11-9-15/h4-11H,2-3,12-13H2,1H3,(H,20,21).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide?
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 301.82 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 38019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).