5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide

C17H15Br2ClN2O2 — CID 26904812

IUPAC5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H15Br2ClN2O2/c1-10-7-11(18)4-6-15(10)21-16(23)9-22(2)17(24)13-8-12(19)3-5-14(13)20/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyOVBLWIQNHPHMCT-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.88
Rot. Bonds4

About 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide

5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide (PubChem CID 26904812) has the molecular formula C17H15Br2ClN2O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
PubChem CID26904812
Molecular FormulaC17H15Br2ClN2O2
Molecular Weight474.58 g/mol
Exact Mass471.92
IUPAC Name5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H15Br2ClN2O2/c1-10-7-11(18)4-6-15(10)21-16(23)9-22(2)17(24)13-8-12(19)3-5-14(13)20/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyOVBLWIQNHPHMCT-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 26904882
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24543876
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 134034240
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide (CID 26904812) is 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide?
The InChIKey is OVBLWIQNHPHMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2ClN2O2/c1-10-7-11(18)4-6-15(10)21-16(23)9-22(2)17(24)13-8-12(19)3-5-14(13)20/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide?
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 26904812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).