3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

C13H15F2NO3 — CID 107302216

IUPAC3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2NO3/c1-8-13(18,2-3-19-8)7-16-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyLARVRENUSYQLQE-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.23
Rot. Bonds3

About 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (PubChem CID 107302216) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
PubChem CID107302216
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2NO3/c1-8-13(18,2-3-19-8)7-16-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyLARVRENUSYQLQE-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099116
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
3-amino-2,6-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099123

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (CID 107302216) is 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is CC1OCCC1(O)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The InChIKey is LARVRENUSYQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-8-13(18,2-3-19-8)7-16-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,18H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide has a molecular weight of 271.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 107302216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).