2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide

C13H18BrFN2O2 — CID 43119467

IUPAC2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(15)8-11(12)14/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyGELAJKCDHKEXOO-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide

2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 43119467) has the molecular formula C13H18BrFN2O2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID43119467
Molecular FormulaC13H18BrFN2O2
Molecular Weight333.20 g/mol
Exact Mass332.05
IUPAC Name2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H18BrFN2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(15)8-11(12)14/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyGELAJKCDHKEXOO-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.54
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-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
2-[(2-bromo-5-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 61017027
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 103579856
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide (CID 43119467) is 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is GELAJKCDHKEXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2/c1-9(13(18)16-6-3-7-19-2)17-12-5-4-10(15)8-11(12)14/h4-5,8-9,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 333.20 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43119467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).