2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide

C15H10ClFN4O — CID 166671164

IUPAC2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C15H10ClFN4O/c16-12-2-1-3-13(21-9-18-8-19-21)14(12)15(22)20-11-6-4-10(17)5-7-11/h1-9H,(H,20,22)
InChIKeyWAACEAYZLWHAST-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide

2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide (PubChem CID 166671164) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
PubChem CID166671164
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C15H10ClFN4O/c16-12-2-1-3-13(21-9-18-8-19-21)14(12)15(22)20-11-6-4-10(17)5-7-11/h1-9H,(H,20,22)
InChIKeyWAACEAYZLWHAST-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fluquinconazole
CID 86417
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-chlorobenzamide
CID 930185
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
(2-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
2,5-dichloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7692783
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide (CID 166671164) is 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(F)cc1)c1c(Cl)cccc1-n1cncn1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is WAACEAYZLWHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-12-2-1-3-13(21-9-18-8-19-21)14(12)15(22)20-11-6-4-10(17)5-7-11/h1-9H,(H,20,22).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 316.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 166671164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).