2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

C12H16BrN3O2 — CID 78788147

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H16BrN3O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyOPLRGHLAKHYNOG-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.07
Rot. Bonds5

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 78788147) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID78788147
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H16BrN3O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyOPLRGHLAKHYNOG-UHFFFAOYSA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9252666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 78788147) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is OPLRGHLAKHYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 314.18 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 78788147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).