1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

C16H12F2N4O — CID 91885801

IUPAC1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H12F2N4O/c1-10-4-2-3-5-14(10)20-16(23)15-19-9-22(21-15)11-6-7-12(17)13(18)8-11/h2-9H,1H3,(H,20,23)
InChIKeyBMCFRDPZEYJBTH-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.11
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 91885801) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID91885801
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H12F2N4O/c1-10-4-2-3-5-14(10)20-16(23)15-19-9-22(21-15)11-6-7-12(17)13(18)8-11/h2-9H,1H3,(H,20,23)
InChIKeyBMCFRDPZEYJBTH-UHFFFAOYSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 1481276
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
1-(3,4-difluorophenyl)-N-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155810474
1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
N-tert-butyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880889
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 91885801) is 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BMCFRDPZEYJBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c1-10-4-2-3-5-14(10)20-16(23)15-19-9-22(21-15)11-6-7-12(17)13(18)8-11/h2-9H,1H3,(H,20,23).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 91885801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).