2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide

C11H13Br2N3O2 — CID 122583234

IUPAC2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
SMILESCC(C)(NC(=O)c1cc(Br)cc(Br)c1N)C(N)=O
InChIInChI=1S/C11H13Br2N3O2/c1-11(2,10(15)18)16-9(17)6-3-5(12)4-7(13)8(6)14/h3-4H,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIMBKUCSGKQPLDI-UHFFFAOYSA-N
MW379.05 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide (PubChem CID 122583234) has the molecular formula C11H13Br2N3O2 and a molecular weight of 379.05 g/mol. Its IUPAC name is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
PubChem CID122583234
Molecular FormulaC11H13Br2N3O2
Molecular Weight379.05 g/mol
Exact Mass376.94
IUPAC Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
SMILESCC(C)(NC(=O)c1cc(Br)cc(Br)c1N)C(N)=O
InChIInChI=1S/C11H13Br2N3O2/c1-11(2,10(15)18)16-9(17)6-3-5(12)4-7(13)8(6)14/h3-4H,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIMBKUCSGKQPLDI-UHFFFAOYSA-N
XLogP1.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide
CID 103908225
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000658
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
2,4-diamino-N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
CID 61212389
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
CID 44586314
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide?
The IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide (CID 122583234) is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide.
What is the SMILES notation for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide?
The canonical SMILES for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide is CC(C)(NC(=O)c1cc(Br)cc(Br)c1N)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide?
The InChIKey is IMBKUCSGKQPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2/c1-11(2,10(15)18)16-9(17)6-3-5(12)4-7(13)8(6)14/h3-4H,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide?
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide has a molecular weight of 379.05 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3,5-dibromobenzamide is sourced from PubChem (CID 122583234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).