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

C18H14Cl2F2N4O2 — CID 15457339

IUPAC1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(Cl)cc2Cl)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3
InChIKeyDHYXNIKICPUXJI-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.50
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457339) has the molecular formula C18H14Cl2F2N4O2 and a molecular weight of 427.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457339
Molecular FormulaC18H14Cl2F2N4O2
Molecular Weight427.24 g/mol
Exact Mass426.05
IUPAC Name1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(Cl)cc2Cl)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3
InChIKeyDHYXNIKICPUXJI-UHFFFAOYSA-N
XLogP4.50
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457339) is 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccc(Cl)cc2Cl)c1=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is DHYXNIKICPUXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 427.24 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).