N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide

C18H11Cl3FN3O2 — CID 134180225

About N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide

N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide (PubChem CID 134180225) has the molecular formula C18H11Cl3FN3O2 and a molecular weight of 426.66 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide.

Molecular Properties

• Compound Name: N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide
• PubChem CID: 134180225
• Molecular Formula: C18H11Cl3FN3O2
• Molecular Weight: 426.66 g/mol
• Exact Mass: 424.99
• IUPAC Name: N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide
• SMILES: O=CNc1cc(Cl)c(C2(c3noc(-c4ccc(F)cc4Cl)n3)CC2)c(Cl)c1
• InChI: InChI=1S/C18H11Cl3FN3O2/c19-12-5-9(22)1-2-11(12)16-24-17(25-27-16)18(3-4-18)15-13(20)6-10(23-8-26)7-14(15)21/h1-2,5-8H,3-4H2,(H,23,26)
• InChIKey: WQZXWVDEQRGYHM-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.66
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide?

The IUPAC name of N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide (CID 134180225) is N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide.

What is the SMILES notation for N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide?

The canonical SMILES for N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide is O=CNc1cc(Cl)c(C2(c3noc(-c4ccc(F)cc4Cl)n3)CC2)c(Cl)c1.

What is the InChIKey of N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide?

The InChIKey is WQZXWVDEQRGYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3FN3O2/c19-12-5-9(22)1-2-11(12)16-24-17(25-27-16)18(3-4-18)15-13(20)6-10(23-8-26)7-14(15)21/h1-2,5-8H,3-4H2,(H,23,26).

What are the key properties of N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide?

N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide has a molecular weight of 426.66 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide is sourced from PubChem (CID 134180225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).