1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide

C13H16ClFN2O — CID 74237935

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O/c1-16-13(18)9-5-6-17(7-9)8-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyZGKQEMRXRPPFKL-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.05
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 74237935) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID74237935
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O/c1-16-13(18)9-5-6-17(7-9)8-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyZGKQEMRXRPPFKL-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923934
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide (CID 74237935) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is ZGKQEMRXRPPFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-16-13(18)9-5-6-17(7-9)8-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 74237935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).