2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione

C21H14FNO3 — CID 168517638

IUPAC2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C21H14FNO3/c22-19-11-4-1-6-14(19)13-26-16-8-5-7-15(12-16)23-20(24)17-9-2-3-10-18(17)21(23)25/h1-12H,13H2
InChIKeyPCBWWTKBGJJXDV-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.21
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione

2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione (PubChem CID 168517638) has the molecular formula C21H14FNO3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione
PubChem CID168517638
Molecular FormulaC21H14FNO3
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C21H14FNO3/c22-19-11-4-1-6-14(19)13-26-16-8-5-7-15(12-16)23-20(24)17-9-2-3-10-18(17)21(23)25/h1-12H,13H2
InChIKeyPCBWWTKBGJJXDV-UHFFFAOYSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Flutolanil
CID 47898
Mepronil
CID 41632
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-fluorobenzoate
CID 4171474
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
2-[4-(Dimethylamino)-3-methoxyphenyl]isoindole-1,3-dione
CID 25271206
2-[4-(Dimethylamino)-3-methoxyphenyl]-5-fluoroisoindole-1,3-dione
CID 25271207
2-(4-Aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25271539
2-[4-(Dimethylamino)phenyl]-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 44588865
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
N-(3-methoxyphenyl)-2-phenylbenzamide
CID 976228

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione (CID 168517638) is 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione?
The InChIKey is PCBWWTKBGJJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3/c22-19-11-4-1-6-14(19)13-26-16-8-5-7-15(12-16)23-20(24)17-9-2-3-10-18(17)21(23)25/h1-12H,13H2.
What are the key properties of 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione?
2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione has a molecular weight of 347.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).