3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

C13H19BrN2O — CID 81485364

IUPAC3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C13H19BrN2O/c1-9(7-15-3)8-16-13(17)11-5-4-6-12(14)10(11)2/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLPUPHGMYNPZSCT-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.34
Rot. Bonds5

About 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 81485364) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
PubChem CID81485364
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C13H19BrN2O/c1-9(7-15-3)8-16-13(17)11-5-4-6-12(14)10(11)2/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLPUPHGMYNPZSCT-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
3-methyl-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81478230
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
3-chloro-2-fluoro-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113282528
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435
3-bromo-2-methyl-N-(3-methylsulfanylbutyl)benzamide
CID 115659875
3-bromo-N-(3-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 111470382
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (CID 81485364) is 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is CNCC(C)CNC(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is LPUPHGMYNPZSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(7-15-3)8-16-13(17)11-5-4-6-12(14)10(11)2/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 299.21 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 81485364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).