2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide

C15H9Cl2FN4O — CID 166671165

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C15H9Cl2FN4O/c16-10-2-1-3-13(22-8-19-7-20-22)14(10)15(23)21-9-4-5-12(18)11(17)6-9/h1-8H,(H,21,23)
InChIKeyFCXQBMHABKXVQW-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide

2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide (PubChem CID 166671165) has the molecular formula C15H9Cl2FN4O and a molecular weight of 351.17 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
PubChem CID166671165
Molecular FormulaC15H9Cl2FN4O
Molecular Weight351.17 g/mol
Exact Mass350.01
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1-n1cncn1
InChIInChI=1S/C15H9Cl2FN4O/c16-10-2-1-3-13(22-8-19-7-20-22)14(10)15(23)21-9-4-5-12(18)11(17)6-9/h1-8H,(H,21,23)
InChIKeyFCXQBMHABKXVQW-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.97
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
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-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
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
N-(5-chloro-2-methylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410515
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135715117
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide (CID 166671165) is 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1c(Cl)cccc1-n1cncn1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is FCXQBMHABKXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O/c16-10-2-1-3-13(22-8-19-7-20-22)14(10)15(23)21-9-4-5-12(18)11(17)6-9/h1-8H,(H,21,23).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 351.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 166671165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).