3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide

C13H17BrN2O2 — CID 104920331

IUPAC3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCN(C)C(=O)CNC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-4-16(3)12(17)8-15-13(18)10-6-5-9(2)11(14)7-10/h5-7H,4,8H2,1-3H3,(H,15,18)
InChIKeyCFBXWANVKOPFDC-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.97
Rot. Bonds4

About 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide

3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 104920331) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID104920331
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCN(C)C(=O)CNC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-4-16(3)12(17)8-15-13(18)10-6-5-9(2)11(14)7-10/h5-7H,4,8H2,1-3H3,(H,15,18)
InChIKeyCFBXWANVKOPFDC-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 114134244
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104928067
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide (CID 104920331) is 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide is CCN(C)C(=O)CNC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is CFBXWANVKOPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-4-16(3)12(17)8-15-13(18)10-6-5-9(2)11(14)7-10/h5-7H,4,8H2,1-3H3,(H,15,18).
What are the key properties of 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide?
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 313.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 104920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).