N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide

C13H17ClN2O — CID 63140593

IUPACN-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2Cl)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-13(6-7-15-9-13)12(17)16-8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeySKMYIYHVZSUWIW-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.96
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63140593) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63140593
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2Cl)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-13(6-7-15-9-13)12(17)16-8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeySKMYIYHVZSUWIW-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119690622
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 63140593) is N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCc2ccccc2Cl)CCNC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SKMYIYHVZSUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(6-7-15-9-13)12(17)16-8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).