3-(4-bromophenyl)iminoisoindol-1-amine

C14H10BrN3 — CID 682811

IUPAC3-(4-bromophenyl)iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H10BrN3/c15-9-5-7-10(8-6-9)17-14-12-4-2-1-3-11(12)13(16)18-14/h1-8H,(H2,16,17,18)
InChIKeyZVGLSKOOEGXKKZ-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.25
Rot. Bonds1

About 3-(4-bromophenyl)iminoisoindol-1-amine

3-(4-bromophenyl)iminoisoindol-1-amine (PubChem CID 682811) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)iminoisoindol-1-amine
PubChem CID682811
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name3-(4-bromophenyl)iminoisoindol-1-amine
SMILESNC1=N/C(=N\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C14H10BrN3/c15-9-5-7-10(8-6-9)17-14-12-4-2-1-3-11(12)13(16)18-14/h1-8H,(H2,16,17,18)
InChIKeyZVGLSKOOEGXKKZ-UHFFFAOYSA-N
XLogP3.25
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-bromophenyl)iminoisoindol-1-amine (CID 682811) is 3-(4-bromophenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-bromophenyl)iminoisoindol-1-amine is NC1=N/C(=N\c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 3-(4-bromophenyl)iminoisoindol-1-amine?
The InChIKey is ZVGLSKOOEGXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-9-5-7-10(8-6-9)17-14-12-4-2-1-3-11(12)13(16)18-14/h1-8H,(H2,16,17,18).
What are the key properties of 3-(4-bromophenyl)iminoisoindol-1-amine?
3-(4-bromophenyl)iminoisoindol-1-amine has a molecular weight of 300.16 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)iminoisoindol-1-amine is sourced from PubChem (CID 682811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).