3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide

C13H9F3N2O2 — CID 104820521

IUPAC3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(F)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-10-5-2-6-11(17-10)18-12(19)8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyVVGJBFUOKQQFRH-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.07
Rot. Bonds4

About 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide

3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide (PubChem CID 104820521) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
PubChem CID104820521
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(F)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-10-5-2-6-11(17-10)18-12(19)8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyVVGJBFUOKQQFRH-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 79736322
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide (CID 104820521) is 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide is O=C(Nc1cccc(F)n1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide?
The InChIKey is VVGJBFUOKQQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-10-5-2-6-11(17-10)18-12(19)8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,18,19).
What are the key properties of 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide?
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide has a molecular weight of 282.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 104820521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).