5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H13BrN2O2 — CID 140559964

IUPAC5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)[C@@H](C)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-6(11(16)14-2)8-4-3-7(12)5-9(8)10(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyZFVNLJGPTZXSRU-LURJTMIESA-N
MW285.14 g/mol
LogP1.40
Rot. Bonds3

About 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide

5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 140559964) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID140559964
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)[C@@H](C)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C11H13BrN2O2/c1-6(11(16)14-2)8-4-3-7(12)5-9(8)10(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyZFVNLJGPTZXSRU-LURJTMIESA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
N-(4-bromo-2-carbamothioylphenyl)-2-methylpropanamide
CID 82703957
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 67223969
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
1-(4-bromo-2-carbamothioylphenyl)-3-propan-2-ylurea
CID 82703964
4-bromo-2-methylsulfanylbenzamide
CID 154647138
2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
CID 60781874
[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 140559964) is 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)[C@@H](C)c1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZFVNLJGPTZXSRU-LURJTMIESA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6(11(16)14-2)8-4-3-7(12)5-9(8)10(13)15/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1.
What are the key properties of 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 285.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 140559964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).