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

C18H14F4N4O2 — CID 15457284

IUPACN,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H14F4N4O2/c1-10(2)25(15-5-3-11(19)7-13(15)21)17(27)24-9-23-26(18(24)28)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3
InChIKeyORSSLEWZVIOGTH-UHFFFAOYSA-N
MW394.33 g/mol
LogP3.47
Rot. Bonds3

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

N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457284) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457284
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC NameN,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H14F4N4O2/c1-10(2)25(15-5-3-11(19)7-13(15)21)17(27)24-9-23-26(18(24)28)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3
InChIKeyORSSLEWZVIOGTH-UHFFFAOYSA-N
XLogP3.47
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457284) is N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1F.
What is the InChIKey of N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is ORSSLEWZVIOGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c1-10(2)25(15-5-3-11(19)7-13(15)21)17(27)24-9-23-26(18(24)28)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3.
What are the key properties of N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 394.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).