N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 79388766

IUPACN-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-10-14(8-9-17-10)15(19)18(3)11(2)12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyLTMGWGOAMICPLI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79388766) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79388766
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-10-14(8-9-17-10)15(19)18(3)11(2)12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyLTMGWGOAMICPLI-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388442
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47160080
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120637228
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210718
N,3-dimethyl-N-(1-pyridin-4-ylethyl)piperidine-2-carboxamide
CID 107067802
N,2-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79388643
(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592268
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120621643
2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579997

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide (CID 79388766) is N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is LTMGWGOAMICPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-14(8-9-17-10)15(19)18(3)11(2)12-4-6-13(16)7-5-12/h4-7,10-11,14,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 280.80 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 N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).