N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C19H17FN2O3 — CID 73168191

IUPACN-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C19H17FN2O3/c20-13-5-7-14(8-6-13)21-18(24)22-11-9-19(10-12-22)16-4-2-1-3-15(16)17(23)25-19/h1-8H,9-12H2,(H,21,24)
InChIKeyLBKPVLITFHKWKT-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.52
Rot. Bonds1

About N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 73168191) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID73168191
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C19H17FN2O3/c20-13-5-7-14(8-6-13)21-18(24)22-11-9-19(10-12-22)16-4-2-1-3-15(16)17(23)25-19/h1-8H,9-12H2,(H,21,24)
InChIKeyLBKPVLITFHKWKT-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 73168191) is N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is LBKPVLITFHKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-13-5-7-14(8-6-13)21-18(24)22-11-9-19(10-12-22)16-4-2-1-3-15(16)17(23)25-19/h1-8H,9-12H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 73168191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).