N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

C12H15FN2O — CID 79382751

IUPACN-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-8-11(6-7-14-8)12(16)15-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)
InChIKeyFVNZPZPNEPGYIJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.76
Rot. Bonds2

About N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79382751) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79382751
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-8-11(6-7-14-8)12(16)15-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)
InChIKeyFVNZPZPNEPGYIJ-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
3-[4-[(2-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339958
(2S,3S)-2-methyl-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;sulfane;hydrochloride
CID 162132491

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (CID 79382751) is N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is FVNZPZPNEPGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-11(6-7-14-8)12(16)15-10-4-2-9(13)3-5-10/h2-5,8,11,14H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79382751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).