3-bromo-5-methyl-N-(2-oxopropyl)benzamide

C11H12BrNO2 — CID 104851607

IUPAC3-bromo-5-methyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyCECMXUMEELQHPU-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.08
Rot. Bonds3

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

3-bromo-5-methyl-N-(2-oxopropyl)benzamide (PubChem CID 104851607) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-oxopropyl)benzamide
PubChem CID104851607
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-bromo-5-methyl-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyCECMXUMEELQHPU-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-oxopropyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-oxopropyl)benzamide (CID 104851607) is 3-bromo-5-methyl-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-oxopropyl)benzamide?
The InChIKey is CECMXUMEELQHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7-3-9(5-10(12)4-7)11(15)13-6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-bromo-5-methyl-N-(2-oxopropyl)benzamide?
3-bromo-5-methyl-N-(2-oxopropyl)benzamide has a molecular weight of 270.13 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 104851607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).