2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide

C13H18Br2N2O2 — CID 61473681

IUPAC2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(14)8-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyCWZNNGPNXIBYHD-UHFFFAOYSA-N
MW394.11 g/mol
LogP3.16
Rot. Bonds7

About 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide

2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 61473681) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
PubChem CID61473681
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(14)8-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyCWZNNGPNXIBYHD-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.16
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-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide (CID 61473681) is 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is CWZNNGPNXIBYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(14)8-11(12)15/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide?
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 394.11 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 61473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).