2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C18H24Cl2N2O — CID 6712729

IUPAC2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C18H24Cl2N2O/c19-14-8-7-13(11-15(14)20)12-18(23)21-16-5-1-2-6-17(16)22-9-3-4-10-22/h7-8,11,16-17H,1-6,9-10,12H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKWSRPMWFUYDWFC-SJORKVTESA-N
MW355.31 g/mol
LogP4.06
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 6712729) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID6712729
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C18H24Cl2N2O/c19-14-8-7-13(11-15(14)20)12-18(23)21-16-5-1-2-6-17(16)22-9-3-4-10-22/h7-8,11,16-17H,1-6,9-10,12H2,(H,21,23)/t16-,17+/m1/s1
InChIKeyKWSRPMWFUYDWFC-SJORKVTESA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

U-47700
CID 71719125
rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
CID 3505
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
3,4-Dichloro-N-(2-(dimethylamino)cyclohexyl)-N-methylbenzamide
CID 13544015
(+/-)-trans-U-50488 methanesulfonate salt
CID 135349
GR-103545
CID 6603856
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
Lpk-26
CID 10043746
2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
CID 9912313

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 6712729) is 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is KWSRPMWFUYDWFC-SJORKVTESA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c19-14-8-7-13(11-15(14)20)12-18(23)21-16-5-1-2-6-17(16)22-9-3-4-10-22/h7-8,11,16-17H,1-6,9-10,12H2,(H,21,23)/t16-,17+/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 355.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 6712729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).