2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide

C17H24ClNO — CID 139928433

IUPAC2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H24ClNO/c1-3-19(4-2)16(20)13-17(11-5-6-12-17)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyGNSZKMYZRXHHCY-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.41
Rot. Bonds5

About 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide

2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide (PubChem CID 139928433) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
PubChem CID139928433
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H24ClNO/c1-3-19(4-2)16(20)13-17(11-5-6-12-17)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyGNSZKMYZRXHHCY-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide (CID 139928433) is 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide is CCN(CC)C(=O)CC1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide?
The InChIKey is GNSZKMYZRXHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-19(4-2)16(20)13-17(11-5-6-12-17)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide?
2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide has a molecular weight of 293.84 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide is sourced from PubChem (CID 139928433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).