3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide

C11H12BrN3O — CID 107798264

IUPAC3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C11H12BrN3O/c1-7(5-13)11(16)15-10-4-9(12)3-2-8(10)6-14/h2-4,7H,5,13H2,1H3,(H,15,16)
InChIKeyHHDMYXINPASRKN-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide

3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide (PubChem CID 107798264) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
PubChem CID107798264
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C11H12BrN3O/c1-7(5-13)11(16)15-10-4-9(12)3-2-8(10)6-14/h2-4,7H,5,13H2,1H3,(H,15,16)
InChIKeyHHDMYXINPASRKN-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
CID 107798147
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
(2R)-2-[(5-bromo-2-cyanophenyl)carbamoylamino]pentanoic acid
CID 107799853
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 104880147
(2R)-4-amino-2-[(5-bromo-2-cyanophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107829654
2-[(5-bromo-2-cyanophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107799767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide (CID 107798264) is 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide is CC(CN)C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide?
The InChIKey is HHDMYXINPASRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7(5-13)11(16)15-10-4-9(12)3-2-8(10)6-14/h2-4,7H,5,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide?
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide has a molecular weight of 282.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide is sourced from PubChem (CID 107798264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).