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

C13H18BrN3O2 — CID 47104711

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-17(2)9-13(19)16-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYDOGDUAUUKFBMI-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.46
Rot. Bonds6

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

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide (PubChem CID 47104711) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
PubChem CID47104711
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-17(2)9-13(19)16-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYDOGDUAUUKFBMI-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide (CID 47104711) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The InChIKey is YDOGDUAUUKFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-17(2)9-13(19)16-11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide has a molecular weight of 328.21 g/mol, XLogP of 1.46, 6 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-ethylacetamide is sourced from PubChem (CID 47104711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).