2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide

C21H30Cl2N2O3 — CID 14673811

IUPAC2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
SMILESCOC1CC(N2CCCC2)C(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1OC
InChIInChI=1S/C21H30Cl2N2O3/c1-24(21(26)11-14-6-7-15(22)16(23)10-14)17-12-19(27-2)20(28-3)13-18(17)25-8-4-5-9-25/h6-7,10,17-20H,4-5,8-9,11-13H2,1-3H3
InChIKeyJBWDLROFTCJPQE-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.65
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide

2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide (PubChem CID 14673811) has the molecular formula C21H30Cl2N2O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
PubChem CID14673811
Molecular FormulaC21H30Cl2N2O3
Molecular Weight429.39 g/mol
Exact Mass428.16
IUPAC Name2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
SMILESCOC1CC(N2CCCC2)C(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1OC
InChIInChI=1S/C21H30Cl2N2O3/c1-24(21(26)11-14-6-7-15(22)16(23)10-14)17-12-19(27-2)20(28-3)13-18(17)25-8-4-5-9-25/h6-7,10,17-20H,4-5,8-9,11-13H2,1-3H3
InChIKeyJBWDLROFTCJPQE-UHFFFAOYSA-N
XLogP3.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
N-[(1R,2R,4R,5S)-4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl]-N-methyl-2-(2,3,4,5-tetrachlorophenoxy)acetamide
CID 18634335
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 73472313
2-(3,4-dichlorophenyl)-N-methyl-N-[(2R,3R)-3-pyrrolidin-1-yl-1,2,3,4-tetrahydroanthracen-2-yl]acetamide
CID 15697308
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 14872379
N-(5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 14327122
N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22120699
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707
2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide
CID 22120695
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl]acetamide
CID 70180174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide (CID 14673811) is 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide is COC1CC(N2CCCC2)C(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1OC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The InChIKey is JBWDLROFTCJPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Cl2N2O3/c1-24(21(26)11-14-6-7-15(22)16(23)10-14)17-12-19(27-2)20(28-3)13-18(17)25-8-4-5-9-25/h6-7,10,17-20H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide has a molecular weight of 429.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide is sourced from PubChem (CID 14673811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).