2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

C15H10F2N4O — CID 56787189

IUPAC2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1)c1cccc(F)c1F
InChIInChI=1S/C15H10F2N4O/c16-12-3-1-2-11(13(12)17)15(22)20-10-6-4-9(5-7-10)14-18-8-19-21-14/h1-8H,(H,20,22)(H,18,19,21)
InChIKeyUHFXZZVBQROPBN-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.00
Rot. Bonds3

About 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 56787189) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID56787189
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncn[nH]2)cc1)c1cccc(F)c1F
InChIInChI=1S/C15H10F2N4O/c16-12-3-1-2-11(13(12)17)15(22)20-10-6-4-9(5-7-10)14-18-8-19-21-14/h1-8H,(H,20,22)(H,18,19,21)
InChIKeyUHFXZZVBQROPBN-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 56787189) is 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ncn[nH]2)cc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is UHFXZZVBQROPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-12-3-1-2-11(13(12)17)15(22)20-10-6-4-9(5-7-10)14-18-8-19-21-14/h1-8H,(H,20,22)(H,18,19,21).
What are the key properties of 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 300.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56787189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).