1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C13H17FN2O — CID 47377078

IUPAC1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-15-13(17)12-3-2-8-16(12)9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyJEUCVJOYPWGSPM-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.54
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 47377078) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID47377078
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-15-13(17)12-3-2-8-16(12)9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyJEUCVJOYPWGSPM-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

3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
1-[(4-fluorophenyl)methyl]-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 136512095
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119602179
(2R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 95786845

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 47377078) is 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JEUCVJOYPWGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-13(17)12-3-2-8-16(12)9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(4-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 1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47377078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).