2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide

C14H17F2NO3 — CID 106297385

IUPAC2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CO)CCOCC2)c1F
InChIInChI=1S/C14H17F2NO3/c1-9-2-3-10(15)11(12(9)16)13(19)17-14(8-18)4-6-20-7-5-14/h2-3,18H,4-8H2,1H3,(H,17,19)
InChIKeyUHNNSUSDSUDECT-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.54
Rot. Bonds3

About 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide

2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide (PubChem CID 106297385) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
PubChem CID106297385
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CO)CCOCC2)c1F
InChIInChI=1S/C14H17F2NO3/c1-9-2-3-10(15)11(12(9)16)13(19)17-14(8-18)4-6-20-7-5-14/h2-3,18H,4-8H2,1H3,(H,17,19)
InChIKeyUHNNSUSDSUDECT-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106297578
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide (CID 106297385) is 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(CO)CCOCC2)c1F.
What is the InChIKey of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide?
The InChIKey is UHNNSUSDSUDECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9-2-3-10(15)11(12(9)16)13(19)17-14(8-18)4-6-20-7-5-14/h2-3,18H,4-8H2,1H3,(H,17,19).
What are the key properties of 2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide?
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide has a molecular weight of 285.29 g/mol, XLogP of 1.54, 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]-3-methylbenzamide is sourced from PubChem (CID 106297385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).