2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

C13H17BrCl2N2O2 — CID 107788878

IUPAC2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H17BrCl2N2O2/c1-8(13(19)17-6-3-7-20-2)18-10-5-4-9(14)11(15)12(10)16/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyFDFNNDWTELDGTA-UHFFFAOYSA-N
MW384.10 g/mol
LogP3.71
Rot. Bonds7

About 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 107788878) has the molecular formula C13H17BrCl2N2O2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID107788878
Molecular FormulaC13H17BrCl2N2O2
Molecular Weight384.10 g/mol
Exact Mass381.99
IUPAC Name2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H17BrCl2N2O2/c1-8(13(19)17-6-3-7-20-2)18-10-5-4-9(14)11(15)12(10)16/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyFDFNNDWTELDGTA-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.10
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
4-bromo-2,3-dichloro-N-(3-methoxypropyl)aniline
CID 104589265
2-(4-bromo-2,3-dichloroanilino)-3-methoxypropanoic acid
CID 107791298
4-bromo-2,3-dichloro-N-[3-(2-methoxyethoxy)propyl]aniline
CID 107789122
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 103579856
methyl 2-(4-bromo-2,3-dichloroanilino)butanoate
CID 107788119
2-[(2-bromo-5-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 61017027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (CID 107788878) is 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is FDFNNDWTELDGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O2/c1-8(13(19)17-6-3-7-20-2)18-10-5-4-9(14)11(15)12(10)16/h4-5,8,18H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 384.10 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107788878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).