4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide

C12H15BrN2O2 — CID 112705694

IUPAC4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(=O)N(C)C)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-6-9(4-5-10(8)13)12(17)14-7-11(16)15(2)3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyPODUFSIRFVJJSA-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.58
Rot. Bonds3

About 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 112705694) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
PubChem CID112705694
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(=O)N(C)C)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-8-6-9(4-5-10(8)13)12(17)14-7-11(16)15(2)3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyPODUFSIRFVJJSA-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-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

2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 104920331
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide (CID 112705694) is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide is Cc1cc(C(=O)NCC(=O)N(C)C)ccc1Br.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is PODUFSIRFVJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-6-9(4-5-10(8)13)12(17)14-7-11(16)15(2)3/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide?
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 299.17 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 112705694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).