N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide

C22H26Cl2N2O — CID 12862739

IUPACN-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)Cc1ccccc1
InChIInChI=1S/C22H26Cl2N2O/c1-3-22(27)26(17-12-13-18(23)19(24)14-17)21-11-7-10-20(21)25(2)15-16-8-5-4-6-9-16/h4-6,8-9,12-14,20-21H,3,7,10-11,15H2,1-2H3
InChIKeyDZLXIAFYUJZFJC-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.79
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide

N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide (PubChem CID 12862739) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide
PubChem CID12862739
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC NameN-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)Cc1ccccc1
InChIInChI=1S/C22H26Cl2N2O/c1-3-22(27)26(17-12-13-18(23)19(24)14-17)21-11-7-10-20(21)25(2)15-16-8-5-4-6-9-16/h4-6,8-9,12-14,20-21H,3,7,10-11,15H2,1-2H3
InChIKeyDZLXIAFYUJZFJC-UHFFFAOYSA-N
XLogP5.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)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-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide (CID 12862739) is N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide is CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is DZLXIAFYUJZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-3-22(27)26(17-12-13-18(23)19(24)14-17)21-11-7-10-20(21)25(2)15-16-8-5-4-6-9-16/h4-6,8-9,12-14,20-21H,3,7,10-11,15H2,1-2H3.
What are the key properties of N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide?
N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 405.37 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]cyclopentyl]-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 12862739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).