3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide

C9H6BrFN4O — CID 106547869

IUPAC3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(Br)c1F
InChIInChI=1S/C9H6BrFN4O/c10-6-3-1-2-5(7(6)11)8(16)14-9-12-4-13-15-9/h1-4H,(H2,12,13,14,15,16)
InChIKeyKWEDNKFYGLCTDH-UHFFFAOYSA-N
MW285.08 g/mol
LogP1.96
Rot. Bonds2

About 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide

3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 106547869) has the molecular formula C9H6BrFN4O and a molecular weight of 285.08 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID106547869
Molecular FormulaC9H6BrFN4O
Molecular Weight285.08 g/mol
Exact Mass283.97
IUPAC Name3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(Br)c1F
InChIInChI=1S/C9H6BrFN4O/c10-6-3-1-2-5(7(6)11)8(16)14-9-12-4-13-15-9/h1-4H,(H2,12,13,14,15,16)
InChIKeyKWEDNKFYGLCTDH-UHFFFAOYSA-N
XLogP1.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 60810768
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
2-bromo-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 55153172
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2977312
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 106547869) is 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is KWEDNKFYGLCTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN4O/c10-6-3-1-2-5(7(6)11)8(16)14-9-12-4-13-15-9/h1-4H,(H2,12,13,14,15,16).
What are the key properties of 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 285.08 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 106547869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).