2-(5-bromo-2-cyanoanilino)-2-methylpropanamide

C11H12BrN3O — CID 114901722

IUPAC2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cc(Br)ccc1C#N)C(N)=O
InChIInChI=1S/C11H12BrN3O/c1-11(2,10(14)16)15-9-5-8(12)4-3-7(9)6-13/h3-5,15H,1-2H3,(H2,14,16)
InChIKeyOPMDDXXZGSZZLE-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.00
Rot. Bonds3

About 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide

2-(5-bromo-2-cyanoanilino)-2-methylpropanamide (PubChem CID 114901722) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
PubChem CID114901722
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
SMILESCC(C)(Nc1cc(Br)ccc1C#N)C(N)=O
InChIInChI=1S/C11H12BrN3O/c1-11(2,10(14)16)15-9-5-8(12)4-3-7(9)6-13/h3-5,15H,1-2H3,(H2,14,16)
InChIKeyOPMDDXXZGSZZLE-UHFFFAOYSA-N
XLogP2.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-cyanoanilino)benzamide
CID 114901303
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
CID 107798022
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
4-bromo-2-[(1-methoxy-2-methylpropan-2-yl)amino]benzonitrile
CID 114902199
3-(5-bromo-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 114167373
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
4-bromo-2-(methylamino)benzonitrile
CID 24903089
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
3-(5-bromo-2-cyanoanilino)propanoic acid
CID 114900871
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide?
The IUPAC name of 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide (CID 114901722) is 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide.
What is the SMILES notation for 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide?
The canonical SMILES for 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide is CC(C)(Nc1cc(Br)ccc1C#N)C(N)=O.
What is the InChIKey of 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide?
The InChIKey is OPMDDXXZGSZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-11(2,10(14)16)15-9-5-8(12)4-3-7(9)6-13/h3-5,15H,1-2H3,(H2,14,16).
What are the key properties of 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide?
2-(5-bromo-2-cyanoanilino)-2-methylpropanamide has a molecular weight of 282.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyanoanilino)-2-methylpropanamide is sourced from PubChem (CID 114901722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).