2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one

C15H9BrClF2NO — CID 171528159

IUPAC2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one
SMILESO=C1c2c(F)cccc2CN1Cc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C15H9BrClF2NO/c16-9-4-11(17)10(13(19)5-9)7-20-6-8-2-1-3-12(18)14(8)15(20)21/h1-5H,6-7H2
InChIKeyCKZNZCBKDPCSLC-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.54
Rot. Bonds2

About 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one

2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one (PubChem CID 171528159) has the molecular formula C15H9BrClF2NO and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one
PubChem CID171528159
Molecular FormulaC15H9BrClF2NO
Molecular Weight372.60 g/mol
Exact Mass370.95
IUPAC Name2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one
SMILESO=C1c2c(F)cccc2CN1Cc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C15H9BrClF2NO/c16-9-4-11(17)10(13(19)5-9)7-20-6-8-2-1-3-12(18)14(8)15(20)21/h1-5H,6-7H2
InChIKeyCKZNZCBKDPCSLC-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-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

2-(2-Chloro-6-fluorobenzyl)isoindoline-1,3-dione
CID 893580
5-Bromo-7-chloro-1-isoindolinone
CID 70805867
5-Bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-one
CID 11632807
5-Bromo-2-(4-fluorobenzyl)-2,3-dihydroisoindol-1-one
CID 22031053
5-Bromo-7-chloro-2-[(4,4-difluorocyclohexyl)methyl]isoindolin-1-one
CID 57672257
5-Bromo-7-chloro-2-(4-fluoro-benzyl)-2,3-dihydro-isoindol-1-one
CID 57949287
5-bromo-2-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-3H-isoindol-1-one
CID 57949420
7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
CID 57949489
2-[(4-chlorophenyl)methyl]-4-fluoro-3H-isoindol-1-one
CID 57949554
7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-3H-isoindol-1-one
CID 57949596
2-[(4-Bromo-3-fluorophenyl)methyl]isoindole-1,3-dione
CID 57985257
4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
CID 59725695

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one?
The IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one (CID 171528159) is 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one.
What is the SMILES notation for 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one?
The canonical SMILES for 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one is O=C1c2c(F)cccc2CN1Cc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one?
The InChIKey is CKZNZCBKDPCSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF2NO/c16-9-4-11(17)10(13(19)5-9)7-20-6-8-2-1-3-12(18)14(8)15(20)21/h1-5H,6-7H2.
What are the key properties of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one?
2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one has a molecular weight of 372.60 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]-7-fluoro-3H-isoindol-1-one is sourced from PubChem (CID 171528159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).