2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide

C13H16Cl2N2O2 — CID 63046152

IUPAC2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H16Cl2N2O2/c1-17(11-6-16-7-12(11)18)13(19)5-8-2-3-9(14)10(15)4-8/h2-4,11-12,16,18H,5-7H2,1H3/t11-,12-/m1/s1
InChIKeyJDLMYPWBEUUFEC-VXGBXAGGSA-N
MW303.19 g/mol
LogP1.33
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide (PubChem CID 63046152) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
PubChem CID63046152
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H16Cl2N2O2/c1-17(11-6-16-7-12(11)18)13(19)5-8-2-3-9(14)10(15)4-8/h2-4,11-12,16,18H,5-7H2,1H3/t11-,12-/m1/s1
InChIKeyJDLMYPWBEUUFEC-VXGBXAGGSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methylacetamide
CID 143913097
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 43596031
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
CID 62691246
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-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide (CID 63046152) is 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JDLMYPWBEUUFEC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17(11-6-16-7-12(11)18)13(19)5-8-2-3-9(14)10(15)4-8/h2-4,11-12,16,18H,5-7H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 303.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 63046152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).