N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide

C12H15ClN2O — CID 110858756

IUPACN-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H15ClN2O/c1-15-7-6-9(8-15)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyHXHSMXYWIOYSKQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.23
Rot. Bonds2

About N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide

N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 110858756) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID110858756
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C12H15ClN2O/c1-15-7-6-9(8-15)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyHXHSMXYWIOYSKQ-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 54950079
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide (CID 110858756) is N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is HXHSMXYWIOYSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15-7-6-9(8-15)12(16)14-11-5-3-2-4-10(11)13/h2-5,9H,6-8H2,1H3,(H,14,16).
What are the key properties of N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide?
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110858756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).