N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C13H17FN2O — CID 42890905

IUPACN-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CCCN1
InChIInChI=1S/C13H17FN2O/c1-16(13(17)12-7-4-8-15-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3
InChIKeyKRVRDTXHQFGXDX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.54
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 42890905) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID42890905
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CCCN1
InChIInChI=1S/C13H17FN2O/c1-16(13(17)12-7-4-8-15-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3
InChIKeyKRVRDTXHQFGXDX-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61165389
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
(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

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 42890905) is N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CN(Cc1ccccc1F)C(=O)C1CCCN1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KRVRDTXHQFGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(13(17)12-7-4-8-15-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12,15H,4,7-9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42890905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).