3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide

C11H11F3N2O2 — CID 114189501

IUPAC3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CNC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-6(2-8(13)9(7)14)10(17)16-5-11(18)3-15-4-11/h1-2,15,18H,3-5H2,(H,16,17)
InChIKeyRBAWYZZHHWAREY-UHFFFAOYSA-N
MW260.21 g/mol
LogP0.17
Rot. Bonds3

About 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide

3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide (PubChem CID 114189501) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
PubChem CID114189501
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CNC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-6(2-8(13)9(7)14)10(17)16-5-11(18)3-15-4-11/h1-2,15,18H,3-5H2,(H,16,17)
InChIKeyRBAWYZZHHWAREY-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
N-[(2,2-dimethylcyclopropyl)methyl]-3,4,5-trifluorobenzamide
CID 113234698
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide (CID 114189501) is 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide is O=C(NCC1(O)CNC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The InChIKey is RBAWYZZHHWAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-7-1-6(2-8(13)9(7)14)10(17)16-5-11(18)3-15-4-11/h1-2,15,18H,3-5H2,(H,16,17).
What are the key properties of 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide has a molecular weight of 260.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114189501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).