2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide

C11H14Br2N2O — CID 43714180

IUPAC2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-6(2)10(14)11(16)15-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyIRGMSJQGCFRCNI-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide

2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide (PubChem CID 43714180) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
PubChem CID43714180
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-6(2)10(14)11(16)15-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyIRGMSJQGCFRCNI-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
CID 51945845
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide (CID 43714180) is 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide?
The InChIKey is IRGMSJQGCFRCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-6(2)10(14)11(16)15-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide?
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide has a molecular weight of 350.05 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide is sourced from PubChem (CID 43714180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).