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

C11H12Br2N2O2 — CID 114372008

IUPAC2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyQVKUFBNBLZGHDQ-UHFFFAOYSA-N
MW364.04 g/mol
LogP2.08
Rot. Bonds3

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

2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 114372008) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID114372008
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3,(H,14,16)(H,15,17)
InChIKeyQVKUFBNBLZGHDQ-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

ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
2,5-dibromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 114372812
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
methyl 2-[(2,5-dibromobenzoyl)amino]-3-methylbutanoate
CID 114370220
(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
CID 104916277
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
CID 106354942

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 114372008) is 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is QVKUFBNBLZGHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c1-6(10(16)14-2)15-11(17)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
2,5-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 2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 114372008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).