2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide

C13H18Br2N2O2 — CID 43126255

IUPAC2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-8-6-10(14)12(11(15)7-8)17-9(2)13(18)16-4-5-19-3/h6-7,9,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyHXUCOPDYCJLHPZ-UHFFFAOYSA-N
MW394.11 g/mol
LogP3.08
Rot. Bonds6

About 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide

2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 43126255) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID43126255
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-8-6-10(14)12(11(15)7-8)17-9(2)13(18)16-4-5-19-3/h6-7,9,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyHXUCOPDYCJLHPZ-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
2-(2-carbamothioyl-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107929244
2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107108545
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide (CID 43126255) is 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is HXUCOPDYCJLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-8-6-10(14)12(11(15)7-8)17-9(2)13(18)16-4-5-19-3/h6-7,9,17H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide?
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 394.11 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43126255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).