N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide

C17H24Cl2N2O — CID 12862698

IUPACN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
SMILESCCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)C
InChIInChI=1S/C17H24Cl2N2O/c1-4-6-17(22)21(12-9-10-13(18)14(19)11-12)16-8-5-7-15(16)20(2)3/h9-11,15-16H,4-8H2,1-3H3
InChIKeyZKLIUIHGSFOUDG-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.61
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide

N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide (PubChem CID 12862698) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
PubChem CID12862698
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
SMILESCCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)C
InChIInChI=1S/C17H24Cl2N2O/c1-4-6-17(22)21(12-9-10-13(18)14(19)11-12)16-8-5-7-15(16)20(2)3/h9-11,15-16H,4-8H2,1-3H3
InChIKeyZKLIUIHGSFOUDG-UHFFFAOYSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide 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-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide (CID 12862698) is N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide is CCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide?
The InChIKey is ZKLIUIHGSFOUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-4-6-17(22)21(12-9-10-13(18)14(19)11-12)16-8-5-7-15(16)20(2)3/h9-11,15-16H,4-8H2,1-3H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide?
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide has a molecular weight of 343.30 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide is sourced from PubChem (CID 12862698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).