5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H17BrN2O2 — CID 65306800

IUPAC5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H17BrN2O2/c1-3-6-15-12(17)8-16-13(18)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNFWJIMCXWDTNJM-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.01
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 65306800) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID65306800
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H17BrN2O2/c1-3-6-15-12(17)8-16-13(18)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNFWJIMCXWDTNJM-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.01
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
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 114370284
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 65306800) is 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is NFWJIMCXWDTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-3-6-15-12(17)8-16-13(18)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.01, 5 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-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 65306800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).