N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide

C15H10BrFN4O — CID 78803403

IUPACN-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H10BrFN4O/c16-11-3-6-14(13(17)7-11)20-15(22)10-1-4-12(5-2-10)21-9-18-8-19-21/h1-9H,(H,20,22)
InChIKeyLUJPOOOIHGLMBQ-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.42
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 78803403) has the molecular formula C15H10BrFN4O and a molecular weight of 361.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID78803403
Molecular FormulaC15H10BrFN4O
Molecular Weight361.17 g/mol
Exact Mass360.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H10BrFN4O/c16-11-3-6-14(13(17)7-11)20-15(22)10-1-4-12(5-2-10)21-9-18-8-19-21/h1-9H,(H,20,22)
InChIKeyLUJPOOOIHGLMBQ-UHFFFAOYSA-N
XLogP3.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192150
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
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N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51278851
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192107
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
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CID 71758813

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 78803403) is N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(Br)cc1F)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LUJPOOOIHGLMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O/c16-11-3-6-14(13(17)7-11)20-15(22)10-1-4-12(5-2-10)21-9-18-8-19-21/h1-9H,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 361.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 78803403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).