1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C19H14Cl2FNO3 — CID 24958097

IUPAC1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H14Cl2FNO3/c20-15-4-1-11(9-16(15)21)17(24)23-7-5-19(6-8-23)14-3-2-12(22)10-13(14)18(25)26-19/h1-4,9-10H,5-8H2
InChIKeyKZIOQTZCNPAEKN-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.43
Rot. Bonds1

About 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 24958097) has the molecular formula C19H14Cl2FNO3 and a molecular weight of 394.23 g/mol. Its IUPAC name is 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID24958097
Molecular FormulaC19H14Cl2FNO3
Molecular Weight394.23 g/mol
Exact Mass393.03
IUPAC Name1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21
InChIInChI=1S/C19H14Cl2FNO3/c20-15-4-1-11(9-16(15)21)17(24)23-7-5-19(6-8-23)14-3-2-12(22)10-13(14)18(25)26-19/h1-4,9-10H,5-8H2
InChIKeyKZIOQTZCNPAEKN-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 24958097) is 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21.
What is the InChIKey of 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is KZIOQTZCNPAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO3/c20-15-4-1-11(9-16(15)21)17(24)23-7-5-19(6-8-23)14-3-2-12(22)10-13(14)18(25)26-19/h1-4,9-10H,5-8H2.
What are the key properties of 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 394.23 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-dichlorobenzoyl)-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 24958097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).