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

C16H12F2N4O — CID 66683003

IUPACN-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccccc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O/c1-21(14-8-7-12(17)9-13(14)18)16(23)22-10-19-15(20-22)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMWHYMVPYSUSHNI-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.33
Rot. Bonds2

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

N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide (PubChem CID 66683003) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
PubChem CID66683003
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccccc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O/c1-21(14-8-7-12(17)9-13(14)18)16(23)22-10-19-15(20-22)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMWHYMVPYSUSHNI-UHFFFAOYSA-N
XLogP3.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide (CID 66683003) is N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccccc2)n1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is MWHYMVPYSUSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c1-21(14-8-7-12(17)9-13(14)18)16(23)22-10-19-15(20-22)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 66683003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).