3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide

C16H22Cl2N2O — CID 22807401

IUPAC3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
SMILESCN(C)[C@@H]1CC(Cl)C[C@H]1N(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)14-10-12(18)11-15(14)20(16(21)8-9-17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12?,14-,15-/m1/s1
InChIKeyQYGJEAIFPBOORT-JENMUQSASA-N
MW329.27 g/mol
LogP3.35
Rot. Bonds5

About 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide

3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide (PubChem CID 22807401) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
PubChem CID22807401
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
SMILESCN(C)[C@@H]1CC(Cl)C[C@H]1N(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)14-10-12(18)11-15(14)20(16(21)8-9-17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12?,14-,15-/m1/s1
InChIKeyQYGJEAIFPBOORT-JENMUQSASA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide 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

3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide
CID 20556403
N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide
CID 54029934
N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
CID 54035744
3-chloro-N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)propanamide
CID 20556394
3-chloro-N,N-diphenylpropanamide
CID 3331408
3-chloro-N-(4-chlorophenyl)-N-[2-[methyl(prop-2-enyl)amino]cycloheptyl]propanamide
CID 20556433
2,2,2-trichloroethyl N-[4-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cyclopentyl]-N-methylcarbamate
CID 70601169
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
2,2,2-trichloroethyl N-[6-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cycloheptyl]-N-methylcarbamate
CID 70592099
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
CID 12862698
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-(2-aminocycloheptyl)-3-bromo-N-phenylpropanamide
CID 21315007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide (CID 22807401) is 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide is CN(C)[C@@H]1CC(Cl)C[C@H]1N(C(=O)CCCl)c1ccccc1.
What is the InChIKey of 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The InChIKey is QYGJEAIFPBOORT-JENMUQSASA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-19(2)14-10-12(18)11-15(14)20(16(21)8-9-17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12?,14-,15-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide has a molecular weight of 329.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide is sourced from PubChem (CID 22807401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).