3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C13H14F4N2O — CID 173469715

IUPAC3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Cc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H14F4N2O/c14-11-6-8(1-2-10(11)13(15,16)17)5-9-3-4-19(7-9)12(18)20/h1-2,6,9H,3-5,7H2,(H2,18,20)
InChIKeyTVODYXZNCLQQGO-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.79
Rot. Bonds2

About 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 173469715) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID173469715
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Cc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C13H14F4N2O/c14-11-6-8(1-2-10(11)13(15,16)17)5-9-3-4-19(7-9)12(18)20/h1-2,6,9H,3-5,7H2,(H2,18,20)
InChIKeyTVODYXZNCLQQGO-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452
trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 166618895
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
[3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 122139592
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
CID 165345913
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
(2R)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methylpyrrolidine
CID 71250303

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 173469715) is 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is NC(=O)N1CCC(Cc2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is TVODYXZNCLQQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-11-6-8(1-2-10(11)13(15,16)17)5-9-3-4-19(7-9)12(18)20/h1-2,6,9H,3-5,7H2,(H2,18,20).
What are the key properties of 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 173469715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).