2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C12H13F3N2O2 — CID 120944182

IUPAC2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3N2O2/c13-7-1-8(14)11(9(15)2-7)12(19)17-4-6-3-16-5-10(6)18/h1-2,6,10,16,18H,3-5H2,(H,17,19)
InChIKeyXVOLQWYFVIHWAZ-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.41
Rot. Bonds3

About 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120944182) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120944182
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3N2O2/c13-7-1-8(14)11(9(15)2-7)12(19)17-4-6-3-16-5-10(6)18/h1-2,6,10,16,18H,3-5H2,(H,17,19)
InChIKeyXVOLQWYFVIHWAZ-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120944182) is 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is XVOLQWYFVIHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-7-1-8(14)11(9(15)2-7)12(19)17-4-6-3-16-5-10(6)18/h1-2,6,10,16,18H,3-5H2,(H,17,19).
What are the key properties of 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 274.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120944182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).