2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

C16H23FN2O — CID 50746934

IUPAC2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-12(2)9-10-18-16(20)19-11-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyWRZGGJJSYOZDET-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (PubChem CID 50746934) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
PubChem CID50746934
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-12(2)9-10-18-16(20)19-11-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyWRZGGJJSYOZDET-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
CID 110617343
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(2R)-N-(3-methylbutyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076879
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
(2R)-N-(3-methylbutyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070474
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
(2S)-N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 124738333
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (CID 50746934) is 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is CC(C)CCNC(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is WRZGGJJSYOZDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(2)9-10-18-16(20)19-11-3-4-15(19)13-5-7-14(17)8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).