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

C16H10F4N4O — CID 66682143

IUPACN,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(F)cc2F)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10F4N4O/c1-23(14-5-3-10(18)7-13(14)20)16(25)24-8-21-15(22-24)11-4-2-9(17)6-12(11)19/h2-8H,1H3
InChIKeyAFIBLHJSISOBCS-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.61
Rot. Bonds2

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

N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide (PubChem CID 66682143) has the molecular formula C16H10F4N4O and a molecular weight of 350.28 g/mol. Its IUPAC name is N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide
PubChem CID66682143
Molecular FormulaC16H10F4N4O
Molecular Weight350.28 g/mol
Exact Mass350.08
IUPAC NameN,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(F)cc2F)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10F4N4O/c1-23(14-5-3-10(18)7-13(14)20)16(25)24-8-21-15(22-24)11-4-2-9(17)6-12(11)19/h2-8H,1H3
InChIKeyAFIBLHJSISOBCS-UHFFFAOYSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide (CID 66682143) is N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(F)cc2F)n1)c1ccc(F)cc1F.
What is the InChIKey of N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide?
The InChIKey is AFIBLHJSISOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4O/c1-23(14-5-3-10(18)7-13(14)20)16(25)24-8-21-15(22-24)11-4-2-9(17)6-12(11)19/h2-8H,1H3.
What are the key properties of N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide?
N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide has a molecular weight of 350.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2,4-difluorophenyl)-N-methyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 66682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).