N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide

C14H16F3NO3 — CID 56765188

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-9-13(20)5-7-21-8-6-13/h1-4,20H,5-9H2,(H,18,19)
InChIKeyCLMXREJLFRJETN-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.98
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 56765188) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID56765188
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-9-13(20)5-7-21-8-6-13/h1-4,20H,5-9H2,(H,18,19)
InChIKeyCLMXREJLFRJETN-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 56765188) is N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1(O)CCOCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is CLMXREJLFRJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)11-4-2-1-3-10(11)12(19)18-9-13(20)5-7-21-8-6-13/h1-4,20H,5-9H2,(H,18,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 56765188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).