1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide

C15H19ClN2O — CID 166602716

IUPAC1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-4-2-1-3-11(14)9-18-8-7-12(10-18)15(19)17-13-5-6-13/h1-4,12-13H,5-10H2,(H,17,19)
InChIKeyMSRMPGKJWMVOER-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.44
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide (PubChem CID 166602716) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
PubChem CID166602716
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-4-2-1-3-11(14)9-18-8-7-12(10-18)15(19)17-13-5-6-13/h1-4,12-13H,5-10H2,(H,17,19)
InChIKeyMSRMPGKJWMVOER-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrate
CID 159837184
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide (CID 166602716) is 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide is O=C(NC1CC1)C1CCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide?
The InChIKey is MSRMPGKJWMVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-4-2-1-3-11(14)9-18-8-7-12(10-18)15(19)17-13-5-6-13/h1-4,12-13H,5-10H2,(H,17,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166602716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).