4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide

C30H29F2N3O3 — CID 18740742

About 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide

4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide (PubChem CID 18740742) has the molecular formula C30H29F2N3O3 and a molecular weight of 517.58 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide
• PubChem CID: 18740742
• Molecular Formula: C30H29F2N3O3
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.22
• IUPAC Name: 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide
• SMILES: O=C(NCCCN1CCC2(CC1)c1ccccc1-c1ccccc12)N1C(=O)OCC1c1ccc(F)c(F)c1
• InChI: InChI=1S/C30H29F2N3O3/c31-25-11-10-20(18-26(25)32)27-19-38-29(37)35(27)28(36)33-14-5-15-34-16-12-30(13-17-34)23-8-3-1-6-21(23)22-7-2-4-9-24(22)30/h1-4,6-11,18,27H,5,12-17,19H2,(H,33,36)
• InChIKey: HZRSFPQIIQWKLX-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide?

The IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide (CID 18740742) is 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide is O=C(NCCCN1CCC2(CC1)c1ccccc1-c1ccccc12)N1C(=O)OCC1c1ccc(F)c(F)c1.

What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide?

The InChIKey is HZRSFPQIIQWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O3/c31-25-11-10-20(18-26(25)32)27-19-38-29(37)35(27)28(36)33-14-5-15-34-16-12-30(13-17-34)23-8-3-1-6-21(23)22-7-2-4-9-24(22)30/h1-4,6-11,18,27H,5,12-17,19H2,(H,33,36).

What are the key properties of 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide?

4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide has a molecular weight of 517.58 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[fluorene-9,4'-piperidine]-1'-ylpropyl)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 18740742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).