N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H17Cl2F2N3O2 — CID 55924603

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55924603) has the molecular formula C20H17Cl2F2N3O2 and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 55924603
• Molecular Formula: C20H17Cl2F2N3O2
• Molecular Weight: 440.28 g/mol
• Exact Mass: 439.07
• IUPAC Name: N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)NC(C)c3cc(F)c(Cl)cc3Cl)n2)cc1F
• InChI: InChI=1S/C20H17Cl2F2N3O2/c1-10-3-4-12(7-16(10)23)20-26-19(29-27-20)6-5-18(28)25-11(2)13-8-17(24)15(22)9-14(13)21/h3-4,7-9,11H,5-6H2,1-2H3,(H,25,28)
• InChIKey: ZFWCKXBIWJKCQH-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.28
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55924603) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)NC(C)c3cc(F)c(Cl)cc3Cl)n2)cc1F.

What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is ZFWCKXBIWJKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F2N3O2/c1-10-3-4-12(7-16(10)23)20-26-19(29-27-20)6-5-18(28)25-11(2)13-8-17(24)15(22)9-14(13)21/h3-4,7-9,11H,5-6H2,1-2H3,(H,25,28).

What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 440.28 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55924603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).