2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile

C19H11FN2O — CID 110448726

IUPAC2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
SMILESN#CC1c2ccc3ccccc3c2C(=O)N1c1ccccc1F
InChIInChI=1S/C19H11FN2O/c20-15-7-3-4-8-16(15)22-17(11-21)14-10-9-12-5-1-2-6-13(12)18(14)19(22)23/h1-10,17H
InChIKeyDUUPKADWGCAXRQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.20
Rot. Bonds1

About 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile

2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile (PubChem CID 110448726) has the molecular formula C19H11FN2O and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
PubChem CID110448726
Molecular FormulaC19H11FN2O
Molecular Weight302.31 g/mol
Exact Mass302.09
IUPAC Name2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
SMILESN#CC1c2ccc3ccccc3c2C(=O)N1c1ccccc1F
InChIInChI=1S/C19H11FN2O/c20-15-7-3-4-8-16(15)22-17(11-21)14-10-9-12-5-1-2-6-13(12)18(14)19(22)23/h1-10,17H
InChIKeyDUUPKADWGCAXRQ-UHFFFAOYSA-N
XLogP4.20
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile (CID 110448726) is 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile is N#CC1c2ccc3ccccc3c2C(=O)N1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile?
The InChIKey is DUUPKADWGCAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O/c20-15-7-3-4-8-16(15)22-17(11-21)14-10-9-12-5-1-2-6-13(12)18(14)19(22)23/h1-10,17H.
What are the key properties of 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile?
2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile has a molecular weight of 302.31 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile is sourced from PubChem (CID 110448726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).