4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one

C19H14FNO2 — CID 19353349

IUPAC4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)CNC3=O
InChIInChI=1S/C19H14FNO2/c1-23-14-7-4-12-8-16-17(10-21-19(16)22)18(15(12)9-14)11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRQTGVYVIMRBGFG-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.90
Rot. Bonds2

About 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one

4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one (PubChem CID 19353349) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one
PubChem CID19353349
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)CNC3=O
InChIInChI=1S/C19H14FNO2/c1-23-14-7-4-12-8-16-17(10-21-19(16)22)18(15(12)9-14)11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRQTGVYVIMRBGFG-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one?
The IUPAC name of 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one (CID 19353349) is 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one is COc1ccc2cc3c(c(-c4ccc(F)cc4)c2c1)CNC3=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one?
The InChIKey is RQTGVYVIMRBGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-23-14-7-4-12-8-16-17(10-21-19(16)22)18(15(12)9-14)11-2-5-13(20)6-3-11/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one?
4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one has a molecular weight of 307.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one is sourced from PubChem (CID 19353349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).