2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide

C16H21Cl2NO — CID 18206629

IUPAC2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)C1C
InChIInChI=1S/C16H21Cl2NO/c1-10-4-3-5-15(11(10)2)19-16(20)9-12-6-7-13(17)14(18)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyDYMWAPBTCINEND-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.48
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 18206629) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID18206629
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)C1C
InChIInChI=1S/C16H21Cl2NO/c1-10-4-3-5-15(11(10)2)19-16(20)9-12-6-7-13(17)14(18)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyDYMWAPBTCINEND-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946229
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 18930457
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 18206629) is 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)C1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is DYMWAPBTCINEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-10-4-3-5-15(11(10)2)19-16(20)9-12-6-7-13(17)14(18)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 314.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 18206629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).