5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane

C29H35ClF5N3O2 — CID 143473368

About 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane

5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane (PubChem CID 143473368) has the molecular formula C29H35ClF5N3O2 and a molecular weight of 588.06 g/mol. Its IUPAC name is 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane.

Molecular Properties

• Compound Name: 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane
• PubChem CID: 143473368
• Molecular Formula: C29H35ClF5N3O2
• Molecular Weight: 588.06 g/mol
• Exact Mass: 587.23
• IUPAC Name: 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane
• SMILES: CC.CC.Clc1ccc(-c2ccccc2)nc1.O=C(Nc1cc(F)cc(OC(F)(F)C(F)F)c1)NC1CCCC1
• InChI: InChI=1S/C14H15F5N2O2.C11H8ClN.2C2H6/c15-8-5-10(21-13(22)20-9-3-1-2-4-9)7-11(6-8)23-14(18,19)12(16)17;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;2*1-2/h5-7,9,12H,1-4H2,(H2,20,21,22);1-8H;2*1-2H3
• InChIKey: FHZACPPKYWTJPK-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.06
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane?

The IUPAC name of 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane (CID 143473368) is 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane.

What is the SMILES notation for 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane?

The canonical SMILES for 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane is CC.CC.Clc1ccc(-c2ccccc2)nc1.O=C(Nc1cc(F)cc(OC(F)(F)C(F)F)c1)NC1CCCC1.

What is the InChIKey of 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane?

The InChIKey is FHZACPPKYWTJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5N2O2.C11H8ClN.2C2H6/c15-8-5-10(21-13(22)20-9-3-1-2-4-9)7-11(6-8)23-14(18,19)12(16)17;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;2*1-2/h5-7,9,12H,1-4H2,(H2,20,21,22);1-8H;2*1-2H3.

What are the key properties of 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane?

5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane has a molecular weight of 588.06 g/mol, XLogP of 9.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-phenylpyridine;1-cyclopentyl-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]urea;ethane is sourced from PubChem (CID 143473368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).