3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H12Br2N2O2 — CID 103908193

IUPAC3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyKOAQGXAQLXHDTE-UHFFFAOYSA-N
MW364.04 g/mol
LogP2.08
Rot. Bonds3

About 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 103908193) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID103908193
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyKOAQGXAQLXHDTE-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 103908193) is 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is KOAQGXAQLXHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 364.04 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).