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

C19H18F2N4O2 — CID 15457286

IUPACN-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2F)C(C)C)c1=O
InChIInChI=1S/C19H18F2N4O2/c1-12(2)24(17-9-8-14(20)10-15(17)21)18(26)23-11-22-25(19(23)27)16-7-5-4-6-13(16)3/h4-12H,1-3H3
InChIKeyKFJXJLJTQBGOMO-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.50
Rot. Bonds3

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

N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457286) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457286
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2F)C(C)C)c1=O
InChIInChI=1S/C19H18F2N4O2/c1-12(2)24(17-9-8-14(20)10-15(17)21)18(26)23-11-22-25(19(23)27)16-7-5-4-6-13(16)3/h4-12H,1-3H3
InChIKeyKFJXJLJTQBGOMO-UHFFFAOYSA-N
XLogP3.50
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.50
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)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457286) is N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is Cc1ccccc1-n1ncn(C(=O)N(c2ccc(F)cc2F)C(C)C)c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is KFJXJLJTQBGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-12(2)24(17-9-8-14(20)10-15(17)21)18(26)23-11-22-25(19(23)27)16-7-5-4-6-13(16)3/h4-12H,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.50, 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)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).