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

C15H10ClFN4O — CID 6459394

IUPAC2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C15H10ClFN4O/c16-14-7-12(21-8-18-19-9-21)5-6-13(14)15(22)20-11-3-1-10(17)2-4-11/h1-9H,(H,20,22)
InChIKeyWQFBXRWZFKAQBS-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

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

2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6459394) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6459394
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C15H10ClFN4O/c16-14-7-12(21-8-18-19-9-21)5-6-13(14)15(22)20-11-3-1-10(17)2-4-11/h1-9H,(H,20,22)
InChIKeyWQFBXRWZFKAQBS-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 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 6459394) is 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WQFBXRWZFKAQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-14-7-12(21-8-18-19-9-21)5-6-13(14)15(22)20-11-3-1-10(17)2-4-11/h1-9H,(H,20,22).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(4-fluorophenyl)-4-(1,2,4-triazol-4-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)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6459394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).