N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide

C13H14F3NO2 — CID 531805

IUPACN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-1-3-9(7-10)12(18)17-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)
InChIKeyGGYGLNQYWGKRAJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.61
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide

N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 531805) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID531805
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC NameN-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-1-3-9(7-10)12(18)17-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)
InChIKeyGGYGLNQYWGKRAJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 531805) is N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(NCC1CCCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GGYGLNQYWGKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-1-3-9(7-10)12(18)17-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide?
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 531805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).