2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H22Cl2N2O — CID 119549893

IUPAC2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)C(C)(C)c1ccc(Cl)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-15(2,11-4-6-12(16)7-5-11)14(19)18(3)13-8-9-17-10-13;/h4-7,13,17H,8-10H2,1-3H3;1H
InChIKeyAVGSIEKXNUPIKH-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119549893) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119549893
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCN(C(=O)C(C)(C)c1ccc(Cl)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-15(2,11-4-6-12(16)7-5-11)14(19)18(3)13-8-9-17-10-13;/h4-7,13,17H,8-10H2,1-3H3;1H
InChIKeyAVGSIEKXNUPIKH-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551745
2-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide
CID 119550385
N,2-dimethyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119553530
4-chloro-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119552421
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119550298
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(3-chloro-5-methylphenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide;ethene;1-fluoro-3-methylbenzene
CID 143200782

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119549893) is 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CN(C(=O)C(C)(C)c1ccc(Cl)cc1)C1CCNC1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is AVGSIEKXNUPIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-15(2,11-4-6-12(16)7-5-11)14(19)18(3)13-8-9-17-10-13;/h4-7,13,17H,8-10H2,1-3H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119549893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).