3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

C17H17Cl2NO — CID 100590851

IUPAC3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-20(12-14-4-9-16(19)10-5-14)17(21)11-6-13-2-7-15(18)8-3-13/h2-5,7-10H,6,11-12H2,1H3
InChIKeySYBYJXLLGPCDKX-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.58
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 100590851) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID100590851
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-20(12-14-4-9-16(19)10-5-14)17(21)11-6-13-2-7-15(18)8-3-13/h2-5,7-10H,6,11-12H2,1H3
InChIKeySYBYJXLLGPCDKX-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide 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-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 31988959
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075
N-[(4-chlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 23087643
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (CID 100590851) is 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is SYBYJXLLGPCDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20(12-14-4-9-16(19)10-5-14)17(21)11-6-13-2-7-15(18)8-3-13/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 322.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 100590851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).