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

C16H21Cl2NO — CID 112792431

IUPAC2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-19(11-13-7-8-14(17)15(18)9-13)16(20)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3
InChIKeyCJPGZNLOQFXBPZ-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.92
Rot. Bonds4

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

2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 112792431) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID112792431
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-19(11-13-7-8-14(17)15(18)9-13)16(20)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3
InChIKeyCJPGZNLOQFXBPZ-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78884662
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 112792431) is 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is CJPGZNLOQFXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-19(11-13-7-8-14(17)15(18)9-13)16(20)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 314.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112792431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).