2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide

C17H24Cl2N2O — CID 169447588

IUPAC2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
SMILESCN(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyISJUYFBACBKWBV-CVEARBPZSA-N
MW343.30 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide (PubChem CID 169447588) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
PubChem CID169447588
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
SMILESCN(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyISJUYFBACBKWBV-CVEARBPZSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl]acetamide
CID 15940203
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
2-(3,4-difluorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 165362286
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride
CID 22161806
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 73472313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide (CID 169447588) is 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide is CN(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide?
The InChIKey is ISJUYFBACBKWBV-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide has a molecular weight of 343.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 169447588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).