2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C13H18Cl2N2O — CID 119554353

IUPAC2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CCNC1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-16(12-5-6-15-9-12)13(17)8-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H
InChIKeyDQXUQTFCZGODDQ-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.12
Rot. Bonds3

About 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119554353) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119554353
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc(Cl)c1)C1CCNC1.Cl
InChIInChI=1S/C13H17ClN2O.ClH/c1-16(12-5-6-15-9-12)13(17)8-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H
InChIKeyDQXUQTFCZGODDQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443234
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119554353) is 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CN(C(=O)Cc1cccc(Cl)c1)C1CCNC1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is DQXUQTFCZGODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c1-16(12-5-6-15-9-12)13(17)8-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119554353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).