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

C15H10ClFN4O — CID 9267240

IUPACN-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H10ClFN4O/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)
InChIKeyRIXKUSUOHVZSIN-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

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

N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 9267240) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID9267240
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H10ClFN4O/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)
InChIKeyRIXKUSUOHVZSIN-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 9267240) is N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RIXKUSUOHVZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/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-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(4-chloro-2-fluorophenyl)-4-(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 N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 9267240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).