N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide

C15H19Cl2NO — CID 134014985

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-10(11-5-6-12(16)13(17)9-11)18-14(19)15(2)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyKJFWPNSENHKRBB-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.75
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 134014985) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
PubChem CID134014985
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-10(11-5-6-12(16)13(17)9-11)18-14(19)15(2)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyKJFWPNSENHKRBB-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106826035
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide (CID 134014985) is N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide is CC(NC(=O)C1(C)CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is KJFWPNSENHKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-10(11-5-6-12(16)13(17)9-11)18-14(19)15(2)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 300.23 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 134014985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).