N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide

C18H16F2N4O2 — CID 15457280

IUPACN-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O2/c1-12(2)23(16-9-8-13(19)10-15(16)20)17(25)22-11-21-24(18(22)26)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyHCOORDFBAGYOPB-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide

N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457280) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457280
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O2/c1-12(2)23(16-9-8-13(19)10-15(16)20)17(25)22-11-21-24(18(22)26)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyHCOORDFBAGYOPB-UHFFFAOYSA-N
XLogP3.20
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457280) is N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccccc2)c1=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is HCOORDFBAGYOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-12(2)23(16-9-8-13(19)10-15(16)20)17(25)22-11-21-24(18(22)26)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).