2-chloro-N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl}benzenecarboxamide
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Basic information
- CAS
321434-03-1- Standard SMILES
O=C(Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1)c1ccccc1Cl- InChIKey
JOQXWFGTIOYDBF-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2F3N5O
- Average molar mass
- 402.2 g/mol
- Monoisotopic mass
- 401.0057998
Names & identifiers
- Preferred name
- 2-chloro-N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl}benzenecarboxamide
- IUPAC
- 2-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]benzamide
- English name
- 2-CHLORO-N-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-1,2,4-TRIAZOL-3-YL)BENZENECARBOXAMIDE
- Molecular formula
- C15H8Cl2F3N5O
- Molecular weight
- 402.16
Names & synonyms
321434-03-12-chloro-N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl}benzenecarboxamide2-chloro-N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}benzamide2-chloro-N-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]benzamide2-Chloro-N-(1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-1,2,4-triazol-3-yl)benzamideSCHEMBL17073930JOQXWFGTIOYDBF-UHFFFAOYSA-NDTXSID701124513AKOS0050827811K-0552-Chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]benzamideBenzamide, 2-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]-
Show more names
2-CHLORO-N-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-1,2,4-TRIAZOL-3-YL)BENZENECARBOXAMIDE
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.70(Predicted)
Related reactions
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Compound notes
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