N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide

C15H10F2N4O — CID 166221920

IUPACN-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H10F2N4O/c16-11-7-6-10(8-12(11)17)18-15(22)14-13(19-21-20-14)9-4-2-1-3-5-9/h1-8H,(H,18,22)(H,19,20,21)
InChIKeyLUKPCCXQZVPQNI-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.00
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide

N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide (PubChem CID 166221920) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
PubChem CID166221920
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC NameN-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H10F2N4O/c16-11-7-6-10(8-12(11)17)18-15(22)14-13(19-21-20-14)9-4-2-1-3-5-9/h1-8H,(H,18,22)(H,19,20,21)
InChIKeyLUKPCCXQZVPQNI-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-N-[4-(propan-2-yloxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 166182550
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N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
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N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
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2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
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3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
N-(3,4-difluorophenyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
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2-fluoro-N-(3-phenyl-1H-indazol-6-yl)benzamide
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N-(3,4-difluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867261
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
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CID 51046391

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide (CID 166221920) is N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide?
The InChIKey is LUKPCCXQZVPQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-11-7-6-10(8-12(11)17)18-15(22)14-13(19-21-20-14)9-4-2-1-3-5-9/h1-8H,(H,18,22)(H,19,20,21).
What are the key properties of N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 166221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).