2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide

C14H18Br2N2O2 — CID 103882161

IUPAC2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-6-5-9(15)7-11(10)16/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyGFHVKMJDTGUPGO-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.20
Rot. Bonds3

About 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide

2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 103882161) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID103882161
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-6-5-9(15)7-11(10)16/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyGFHVKMJDTGUPGO-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-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

N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
CID 107941385
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
N-[2-(tert-butylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380465
2-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]-methylamino]-N-tert-butylacetamide;hydroiodide
CID 111977466

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide (CID 103882161) is 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GFHVKMJDTGUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-6-5-9(15)7-11(10)16/h5-7H,8H2,1-4H3,(H,17,19).
What are the key properties of 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide?
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 406.12 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 103882161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).