2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide

C12H13F2NO3 — CID 94817259

IUPAC2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@@H]1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m1/s1
InChIKeyRWEDNTUNVHYYDV-LLVKDONJSA-N
MW257.24 g/mol
LogP2.15
Rot. Bonds3

About 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide

2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide (PubChem CID 94817259) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
PubChem CID94817259
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@@H]1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m1/s1
InChIKeyRWEDNTUNVHYYDV-LLVKDONJSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
1-[1-(2,4-difluorophenyl)cyclobutyl]-3-[(2S)-oxan-2-yl]oxyurea
CID 99718676
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
7-fluoro-2-imino-1-methanimidoyl-N-(oxan-2-yloxy)quinoline-3-carboxamide
CID 143027080
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604
2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
CID 95342216
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide?
The IUPAC name of 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide (CID 94817259) is 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide is O=C(NO[C@@H]1CCCCO1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide?
The InChIKey is RWEDNTUNVHYYDV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide?
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide has a molecular weight of 257.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 94817259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).