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

C18H17FN4O2 — CID 15457289

IUPACN-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C18H17FN4O2/c1-13(2)22(15-10-8-14(19)9-11-15)17(24)21-12-20-23(18(21)25)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyUGOIOEMZGDTAKQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.06
Rot. Bonds3

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

N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457289) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457289
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C18H17FN4O2/c1-13(2)22(15-10-8-14(19)9-11-15)17(24)21-12-20-23(18(21)25)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyUGOIOEMZGDTAKQ-UHFFFAOYSA-N
XLogP3.06
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1,3-Bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea
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N-(3,5-dimethyl-2-oxo-1-phenyl-2,3-dihydro-1H-imidazol-4-yl)-N'-(4-fluorophenyl)urea
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N-(3,5-dimethyl-2-oxo-1-phenyl-2,3-dihydro-1H-imidazol-4-yl)-N'-(2-fluorophenyl)urea
CID 2988639
4-(2-Fluorophenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate
CID 24197322
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 75440808
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CID 75440810
1-[2-(Dimethylamino)ethyl]-3-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-propan-2-ylurea
CID 75452762
N-cyclopentyl-N-(4-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 75518156
N-(2,4-difluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457289) is N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-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)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is UGOIOEMZGDTAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-13(2)22(15-10-8-14(19)9-11-15)17(24)21-12-20-23(18(21)25)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-oxo-1-phenyl-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).