2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C15H19Cl2NO — CID 78771137

IUPAC2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCC1
InChIInChI=1S/C15H19Cl2NO/c1-18(15(19)9-11-4-2-3-5-11)10-12-6-7-13(16)14(17)8-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyDTDKRFBZSZZAIB-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.53
Rot. Bonds4

About 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 78771137) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID78771137
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCC1
InChIInChI=1S/C15H19Cl2NO/c1-18(15(19)9-11-4-2-3-5-11)10-12-6-7-13(16)14(17)8-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyDTDKRFBZSZZAIB-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78884662
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
2-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976691
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 78771137) is 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is DTDKRFBZSZZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18(15(19)9-11-4-2-3-5-11)10-12-6-7-13(16)14(17)8-12/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 300.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78771137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).