4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C30H28F3N3O3 — CID 18740749

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

4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 18740749) has the molecular formula C30H28F3N3O3 and a molecular weight of 535.57 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 18740749
• Molecular Formula: C30H28F3N3O3
• Molecular Weight: 535.57 g/mol
• Exact Mass: 535.21
• IUPAC Name: 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: O=C(NCCCN1CCC2(CC1)c1ccccc1-c1ccc(F)cc12)N1C(=O)OCC1c1ccc(F)c(F)c1
• InChI: InChI=1S/C30H28F3N3O3/c31-20-7-8-22-21-4-1-2-5-23(21)30(24(22)17-20)10-14-35(15-11-30)13-3-12-34-28(37)36-27(18-39-29(36)38)19-6-9-25(32)26(33)16-19/h1-2,4-9,16-17,27H,3,10-15,18H2,(H,34,37)
• InChIKey: JJYUIVWWOSUWKM-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.57
LogP ≤ 5	5.76
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)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 18740749) is 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

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

The canonical SMILES for 4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NCCCN1CCC2(CC1)c1ccccc1-c1ccc(F)cc12)N1C(=O)OCC1c1ccc(F)c(F)c1.

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

The InChIKey is JJYUIVWWOSUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O3/c31-20-7-8-22-21-4-1-2-5-23(21)30(24(22)17-20)10-14-35(15-11-30)13-3-12-34-28(37)36-27(18-39-29(36)38)19-6-9-25(32)26(33)16-19/h1-2,4-9,16-17,27H,3,10-15,18H2,(H,34,37).

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

4-(3,4-difluorophenyl)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 535.57 g/mol, XLogP of 5.76, 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)-N-[3-(2-fluorospiro[fluorene-9,4'-piperidine]-1'-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 18740749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).