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

C15H10BrCl2NO — CID 11639303

IUPAC5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrCl2NO/c16-11-5-10-8-19(15(20)14(10)13(18)6-11)7-9-1-3-12(17)4-2-9/h1-6H,7-8H2
InChIKeyIZUJIFJYWRRDMF-UHFFFAOYSA-N
MW371.06 g/mol
LogP4.91
Rot. Bonds2

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

5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one (PubChem CID 11639303) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one
PubChem CID11639303
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one
SMILESO=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10BrCl2NO/c16-11-5-10-8-19(15(20)14(10)13(18)6-11)7-9-1-3-12(17)4-2-9/h1-6H,7-8H2
InChIKeyIZUJIFJYWRRDMF-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.06
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-chloro-2-[(4-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one?
The IUPAC name of 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one (CID 11639303) is 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one is O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one?
The InChIKey is IZUJIFJYWRRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-5-10-8-19(15(20)14(10)13(18)6-11)7-9-1-3-12(17)4-2-9/h1-6H,7-8H2.
What are the key properties of 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one?
5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one has a molecular weight of 371.06 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 11639303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).