N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H11FN4O2 — CID 136832022

IUPACN-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H11FN4O2/c12-8-4-2-1-3-7(8)5-6-13-10(17)9-14-11(18)16-15-9/h1-4H,5-6H2,(H,13,17)(H2,14,15,16,18)
InChIKeyJHKPAMBRPQTEGE-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.21
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832022) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832022
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H11FN4O2/c12-8-4-2-1-3-7(8)5-6-13-10(17)9-14-11(18)16-15-9/h1-4H,5-6H2,(H,13,17)(H2,14,15,16,18)
InChIKeyJHKPAMBRPQTEGE-UHFFFAOYSA-N
XLogP0.21
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 72930885
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832022) is N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCCc1ccccc1F)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is JHKPAMBRPQTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-8-4-2-1-3-7(8)5-6-13-10(17)9-14-11(18)16-15-9/h1-4H,5-6H2,(H,13,17)(H2,14,15,16,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).