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

C13H16ClFN2O — CID 61165389

IUPAC(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H16ClFN2O/c1-17(13(18)12-6-3-7-16-12)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3/t12-/m0/s1
InChIKeyHKHWLYMGXSINGV-LBPRGKRZSA-N
MW270.73 g/mol
LogP2.19
Rot. Bonds3

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

(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61165389) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61165389
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H16ClFN2O/c1-17(13(18)12-6-3-7-16-12)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3/t12-/m0/s1
InChIKeyHKHWLYMGXSINGV-LBPRGKRZSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267731
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682901
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682870
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 61165389) is (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HKHWLYMGXSINGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-17(13(18)12-6-3-7-16-12)8-9-10(14)4-2-5-11(9)15/h2,4-5,12,16H,3,6-8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).