N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide

C10H9F3N2O2 — CID 66187235

IUPACN-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NC1CNC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H9F3N2O2/c11-6-1-5(7(12)9(16)8(6)13)10(17)15-4-2-14-3-4/h1,4,14,16H,2-3H2,(H,15,17)
InChIKeyPMMUQVZJPZHERW-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.51
Rot. Bonds2

About N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 66187235) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID66187235
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NC1CNC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H9F3N2O2/c11-6-1-5(7(12)9(16)8(6)13)10(17)15-4-2-14-3-4/h1,4,14,16H,2-3H2,(H,15,17)
InChIKeyPMMUQVZJPZHERW-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(azepan-4-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107172249
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436
N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
(3-aminoazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63755273
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 66195370
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 43595596
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 66187235) is N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide is O=C(NC1CNC1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is PMMUQVZJPZHERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-6-1-5(7(12)9(16)8(6)13)10(17)15-4-2-14-3-4/h1,4,14,16H,2-3H2,(H,15,17).
What are the key properties of N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 246.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 66187235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).