7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one

C17H13ClFNO — CID 67250406

IUPAC7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
SMILESC=Cc1cc(Cl)c2c(c1)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C17H13ClFNO/c1-2-11-7-13-10-20(17(21)16(13)15(18)8-11)9-12-3-5-14(19)6-4-12/h2-8H,1,9-10H2
InChIKeyCDGZOBQKVLUURQ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.28
Rot. Bonds3

About 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one

7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one (PubChem CID 67250406) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
PubChem CID67250406
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
SMILESC=Cc1cc(Cl)c2c(c1)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C17H13ClFNO/c1-2-11-7-13-10-20(17(21)16(13)15(18)8-11)9-12-3-5-14(19)6-4-12/h2-8H,1,9-10H2
InChIKeyCDGZOBQKVLUURQ-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
2-[5-[(3-Chlorophenyl)methyl-methylamino]pentyl]isoindole-1,3-dione;hydrochloride
CID 118729300
2-[6-[(3-Chlorophenyl)methyl-methylamino]hexyl]isoindole-1,3-dione;hydrochloride
CID 118729302
2-[7-[(3-Chlorophenyl)methyl-methylamino]heptyl]isoindole-1,3-dione;hydrochloride
CID 118729304
2-[8-[(3-Chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
CID 118729306
[3-(2-Chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone
CID 127053040
5-Chloro-2-(4-phenylbutyl)isoindole-1,3-dione
CID 44440475
6-(4-Chlorophenyl)isoindolin-1-one
CID 49830492
2-[4-[(3-Chlorophenyl)methyl-methylamino]butyl]isoindole-1,3-dione;hydrochloride
CID 118729299
2-(2,6-dichlorobenzyl)-1H-isoindole-1,3(2H)-dione
CID 894059
7-chloro-2,3-dihydro-1H-isoindol-1-one
CID 22136835
2-[3-[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]propyl]isoindole-1,3-dione
CID 2796212

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one (CID 67250406) is 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one is C=Cc1cc(Cl)c2c(c1)CN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one?
The InChIKey is CDGZOBQKVLUURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c1-2-11-7-13-10-20(17(21)16(13)15(18)8-11)9-12-3-5-14(19)6-4-12/h2-8H,1,9-10H2.
What are the key properties of 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one?
7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one has a molecular weight of 301.75 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethenyl-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 67250406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).