2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile

C15H12Br2N2O — CID 60988043

IUPAC2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile
SMILESCOc1ccc(Br)cc1C(C#N)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12Br2N2O/c1-20-15-7-4-11(17)8-13(15)14(9-18)19-12-5-2-10(16)3-6-12/h2-8,14,19H,1H3
InChIKeyWOEJHQMJNNWDBH-UHFFFAOYSA-N
MW396.08 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile

2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile (PubChem CID 60988043) has the molecular formula C15H12Br2N2O and a molecular weight of 396.08 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile
PubChem CID60988043
Molecular FormulaC15H12Br2N2O
Molecular Weight396.08 g/mol
Exact Mass393.93
IUPAC Name2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile
SMILESCOc1ccc(Br)cc1C(C#N)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12Br2N2O/c1-20-15-7-4-11(17)8-13(15)14(9-18)19-12-5-2-10(16)3-6-12/h2-8,14,19H,1H3
InChIKeyWOEJHQMJNNWDBH-UHFFFAOYSA-N
XLogP4.90
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)acetonitrile
CID 60987531
2-(4-bromoanilino)-2-(2-chloro-6-methoxyphenyl)acetonitrile
CID 104816447
2-[(4-bromoanilino)-cyanomethyl]benzonitrile
CID 107936305
2-(3-bromoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile
CID 60990260
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
2-anilino-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 102232248
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
5-[(3-bromoanilino)-cyanomethyl]-2-methoxybenzonitrile
CID 65340970
2-(4-bromoanilino)-2-(3-ethoxyphenyl)acetonitrile
CID 60988045
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913696
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile (CID 60988043) is 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile is COc1ccc(Br)cc1C(C#N)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile?
The InChIKey is WOEJHQMJNNWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O/c1-20-15-7-4-11(17)8-13(15)14(9-18)19-12-5-2-10(16)3-6-12/h2-8,14,19H,1H3.
What are the key properties of 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile?
2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile has a molecular weight of 396.08 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 60988043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).