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

C14H19ClN2O — CID 110853463

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyXLZGGSKIKOPUPL-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.95
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 110853463) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID110853463
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyXLZGGSKIKOPUPL-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
N-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide;formic acid
CID 172896355
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide (CID 110853463) is N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is XLZGGSKIKOPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17-9-7-12(10-17)14(18)16-8-6-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110853463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).