2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide

C13H17Cl2FN2O2 — CID 103579856

IUPAC2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H17Cl2FN2O2/c1-8(13(19)17-4-3-5-20-2)18-9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyPMFDQNYDDDXEEN-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.09
Rot. Bonds7

About 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide

2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 103579856) has the molecular formula C13H17Cl2FN2O2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID103579856
Molecular FormulaC13H17Cl2FN2O2
Molecular Weight323.20 g/mol
Exact Mass322.07
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C13H17Cl2FN2O2/c1-8(13(19)17-4-3-5-20-2)18-9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyPMFDQNYDDDXEEN-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.09
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-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide (CID 103579856) is 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is PMFDQNYDDDXEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O2/c1-8(13(19)17-4-3-5-20-2)18-9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide?
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 323.20 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 103579856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).