1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone

C18H15FN4O — CID 162512057

IUPAC1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1Cc2ccc(-c3ccccc3F)cc2C1
InChIInChI=1S/C18H15FN4O/c19-17-4-2-1-3-16(17)13-5-6-14-8-22(9-15(14)7-13)18(24)10-23-12-20-11-21-23/h1-7,11-12H,8-10H2
InChIKeyWSEIGMOMCWCCAE-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.63
Rot. Bonds3

About 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 162512057) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID162512057
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1Cc2ccc(-c3ccccc3F)cc2C1
InChIInChI=1S/C18H15FN4O/c19-17-4-2-1-3-16(17)13-5-6-14-8-22(9-15(14)7-13)18(24)10-23-12-20-11-21-23/h1-7,11-12H,8-10H2
InChIKeyWSEIGMOMCWCCAE-UHFFFAOYSA-N
XLogP2.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone 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-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 162512057) is 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1Cc2ccc(-c3ccccc3F)cc2C1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is WSEIGMOMCWCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-17-4-2-1-3-16(17)13-5-6-14-8-22(9-15(14)7-13)18(24)10-23-12-20-11-21-23/h1-7,11-12H,8-10H2.
What are the key properties of 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 322.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,3-dihydroisoindol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 162512057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).