2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine

C14H10BrClN2 — CID 112724162

IUPAC2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClN2/c15-12-7-10(16)5-6-13(12)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyLOGVBHGMKWQBKJ-SAPNQHFASA-N
MW321.61 g/mol
LogP4.45
Rot. Bonds1

About 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine

2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine (PubChem CID 112724162) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine
PubChem CID112724162
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClN2/c15-12-7-10(16)5-6-13(12)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyLOGVBHGMKWQBKJ-SAPNQHFASA-N
XLogP4.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44667451
2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine
CID 55223990
2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine
CID 2981571
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801
2-(2-bromo-5-fluorophenyl)-3H-isoindol-1-imine
CID 107636514
2-(3-imino-1H-isoindol-2-yl)phenol
CID 4006101
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945
2-(2,3-dimethylphenyl)-3H-isoindol-1-imine
CID 29045255
2-(3,5-dichloro-2-pyridinyl)-3H-isoindol-1-imine;hydrobromide
CID 44667802
2-[4-bromo-3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
CID 60648787
2-(4-fluoro-3-methoxyphenyl)-3H-isoindol-1-imine
CID 114840084

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine (CID 112724162) is 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine?
The InChIKey is LOGVBHGMKWQBKJ-SAPNQHFASA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-12-7-10(16)5-6-13(12)18-8-9-3-1-2-4-11(9)14(18)17/h1-7,17H,8H2/b17-14+.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine?
2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine has a molecular weight of 321.61 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 112724162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).