N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide

C17H25ClN2O — CID 54029934

IUPACN-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide
SMILESCCCC(=O)N(c1ccccc1)C1CC(Cl)CC1N(C)C
InChIInChI=1S/C17H25ClN2O/c1-4-8-17(21)20(14-9-6-5-7-10-14)16-12-13(18)11-15(16)19(2)3/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3
InChIKeyLEWAYARAPOHOER-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.52
Rot. Bonds5

About N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide

N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide (PubChem CID 54029934) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide
PubChem CID54029934
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide
SMILESCCCC(=O)N(c1ccccc1)C1CC(Cl)CC1N(C)C
InChIInChI=1S/C17H25ClN2O/c1-4-8-17(21)20(14-9-6-5-7-10-14)16-12-13(18)11-15(16)19(2)3/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3
InChIKeyLEWAYARAPOHOER-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide?
The IUPAC name of N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide (CID 54029934) is N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide.
What is the SMILES notation for N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide?
The canonical SMILES for N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide is CCCC(=O)N(c1ccccc1)C1CC(Cl)CC1N(C)C.
What is the InChIKey of N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide?
The InChIKey is LEWAYARAPOHOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-8-17(21)20(14-9-6-5-7-10-14)16-12-13(18)11-15(16)19(2)3/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3.
What are the key properties of N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide?
N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide is sourced from PubChem (CID 54029934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).