2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

C13H15F2NO3 — CID 106298371

IUPAC2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c14-9-2-1-3-10(15)11(9)12(18)16-13(8-17)4-6-19-7-5-13/h1-3,17H,4-8H2,(H,16,18)
InChIKeyVSVSQAMEQDXGCH-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.24
Rot. Bonds3

About 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 106298371) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID106298371
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(NC1(CO)CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c14-9-2-1-3-10(15)11(9)12(18)16-13(8-17)4-6-19-7-5-13/h1-3,17H,4-8H2,(H,16,18)
InChIKeyVSVSQAMEQDXGCH-UHFFFAOYSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
CID 106296667
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
(E)-3-(2-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]prop-2-enamide
CID 104630693
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (CID 106298371) is 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is O=C(NC1(CO)CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is VSVSQAMEQDXGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-9-2-1-3-10(15)11(9)12(18)16-13(8-17)4-6-19-7-5-13/h1-3,17H,4-8H2,(H,16,18).
What are the key properties of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 271.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 106298371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).