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

C12H15BrN2O2 — CID 65309624

IUPAC5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H15BrN2O2/c1-8-3-4-9(13)7-10(8)12(17)15-6-5-11(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLIAJDZYRLVLWHM-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.62
Rot. Bonds4

About 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 65309624) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID65309624
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H15BrN2O2/c1-8-3-4-9(13)7-10(8)12(17)15-6-5-11(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLIAJDZYRLVLWHM-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
CID 65308301
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
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5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
5-bromo-2-methyl-N-[2-(prop-2-enoylamino)ethyl]benzamide
CID 71998630
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 65309624) is 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is LIAJDZYRLVLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-3-4-9(13)7-10(8)12(17)15-6-5-11(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 65309624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).