2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile

C22H18Br2N2 — CID 71061181

IUPAC2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18Br2N2/c1-22(2,15-25)16-3-9-19(10-4-16)26(20-11-5-17(23)6-12-20)21-13-7-18(24)8-14-21/h3-14H,1-2H3
InChIKeyMGPQYESWOMENHZ-UHFFFAOYSA-N
MW470.21 g/mol
LogP7.48
Rot. Bonds4

About 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile

2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile (PubChem CID 71061181) has the molecular formula C22H18Br2N2 and a molecular weight of 470.21 g/mol. Its IUPAC name is 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile
PubChem CID71061181
Molecular FormulaC22H18Br2N2
Molecular Weight470.21 g/mol
Exact Mass467.98
IUPAC Name2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18Br2N2/c1-22(2,15-25)16-3-9-19(10-4-16)26(20-11-5-17(23)6-12-20)21-13-7-18(24)8-14-21/h3-14H,1-2H3
InChIKeyMGPQYESWOMENHZ-UHFFFAOYSA-N
XLogP7.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.21
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile 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 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile (CID 71061181) is 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile?
The InChIKey is MGPQYESWOMENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2/c1-22(2,15-25)16-3-9-19(10-4-16)26(20-11-5-17(23)6-12-20)21-13-7-18(24)8-14-21/h3-14H,1-2H3.
What are the key properties of 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile?
2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile has a molecular weight of 470.21 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 71061181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).