N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide

C15H10ClFN4O — CID 110702378

IUPACN-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H10ClFN4O/c16-12-8-10(6-7-13(12)17)19-15(22)14-9-18-21(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,22)
InChIKeyRGVXQCLLPYQHOM-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 110702378) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
PubChem CID110702378
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H10ClFN4O/c16-12-8-10(6-7-13(12)17)19-15(22)14-9-18-21(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,22)
InChIKeyRGVXQCLLPYQHOM-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide (CID 110702378) is N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is RGVXQCLLPYQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-12-8-10(6-7-13(12)17)19-15(22)14-9-18-21(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide 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-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 110702378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).