2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide

C12H12Br2N2O — CID 114291248

IUPAC2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2N2O/c1-3-12(2,7-15)11(17)16-10-6-8(13)4-5-9(10)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyLTTPYIOHJSMKLR-UHFFFAOYSA-N
MW360.05 g/mol
LogP4.09
Rot. Bonds3

About 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide

2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide (PubChem CID 114291248) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
PubChem CID114291248
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2N2O/c1-3-12(2,7-15)11(17)16-10-6-8(13)4-5-9(10)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyLTTPYIOHJSMKLR-UHFFFAOYSA-N
XLogP4.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114292758
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
N-(3-bromo-4-methylphenyl)-2-cyano-2-methylbutanamide
CID 114291509
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
N-(cyanomethyl)-N'-(2,5-dibromophenyl)oxamide
CID 54955294
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
2-[1-(2,5-dibromoanilino)ethenyl]-3-methylbut-2-enenitrile
CID 138636157
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide (CID 114291248) is 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide?
The InChIKey is LTTPYIOHJSMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c1-3-12(2,7-15)11(17)16-10-6-8(13)4-5-9(10)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide?
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide has a molecular weight of 360.05 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide is sourced from PubChem (CID 114291248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).