1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C17H12Cl2F2N4O2 — CID 1486772

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccc(F)cc3F)nc2C)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F2N4O2/c1-8-22-16(17(26)23-13-4-3-9(20)5-12(13)21)24-25(8)14-7-15(27-2)11(19)6-10(14)18/h3-7H,1-2H3,(H,23,26)
InChIKeyIFIFZVDEQLXUPK-UHFFFAOYSA-N
MW413.21 g/mol
LogP4.42
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 1486772) has the molecular formula C17H12Cl2F2N4O2 and a molecular weight of 413.21 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID1486772
Molecular FormulaC17H12Cl2F2N4O2
Molecular Weight413.21 g/mol
Exact Mass412.03
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccc(F)cc3F)nc2C)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F2N4O2/c1-8-22-16(17(26)23-13-4-3-9(20)5-12(13)21)24-25(8)14-7-15(27-2)11(19)6-10(14)18/h3-7H,1-2H3,(H,23,26)
InChIKeyIFIFZVDEQLXUPK-UHFFFAOYSA-N
XLogP4.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-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 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 1486772) is 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is COc1cc(-n2nc(C(=O)Nc3ccc(F)cc3F)nc2C)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IFIFZVDEQLXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4O2/c1-8-22-16(17(26)23-13-4-3-9(20)5-12(13)21)24-25(8)14-7-15(27-2)11(19)6-10(14)18/h3-7H,1-2H3,(H,23,26).
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 413.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1486772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).