2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C18H19BrN2O2 — CID 8500775

IUPAC2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-7-6-8-13(2)17(12)20-16(22)11-21(3)18(23)14-9-4-5-10-15(14)19/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyHKMYNAHTUBUCOW-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 8500775) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID8500775
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-7-6-8-13(2)17(12)20-16(22)11-21(3)18(23)14-9-4-5-10-15(14)19/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyHKMYNAHTUBUCOW-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78771701
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide
CID 27788246
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 8500775) is 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is HKMYNAHTUBUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-7-6-8-13(2)17(12)20-16(22)11-21(3)18(23)14-9-4-5-10-15(14)19/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 8500775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).