2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione

C17H11ClFNO2 — CID 13320094

IUPAC2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C(=C/F)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO2/c18-13-7-5-11(6-8-13)12(9-19)10-20-16(21)14-3-1-2-4-15(14)17(20)22/h1-9H,10H2/b12-9-
InChIKeyVBBZERLXQQODIC-XFXZXTDPSA-N
MW315.73 g/mol
LogP3.95
Rot. Bonds3

About 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione

2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione (PubChem CID 13320094) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
PubChem CID13320094
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C(=C/F)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFNO2/c18-13-7-5-11(6-8-13)12(9-19)10-20-16(21)14-3-1-2-4-15(14)17(20)22/h1-9H,10H2/b12-9-
InChIKeyVBBZERLXQQODIC-XFXZXTDPSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
2-Benzoyl-1H-isoindole-1,3(2H)-dione
CID 97623
6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione (CID 13320094) is 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C(=C/F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione?
The InChIKey is VBBZERLXQQODIC-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c18-13-7-5-11(6-8-13)12(9-19)10-20-16(21)14-3-1-2-4-15(14)17(20)22/h1-9H,10H2/b12-9-.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione?
2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione has a molecular weight of 315.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 13320094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).