(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C19H15ClFNO3 — CID 99983740

IUPAC(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)c3ccc(F)cc3Cl)C2)c2ccccc21
InChIInChI=1S/C19H15ClFNO3/c20-16-10-12(21)6-7-14(16)17(23)22-9-3-8-19(11-22)15-5-2-1-4-13(15)18(24)25-19/h1-2,4-7,10H,3,8-9,11H2/t19-/m0/s1
InChIKeyLLTYLOAPZRFELU-IBGZPJMESA-N
MW359.78 g/mol
LogP3.78
Rot. Bonds1

About (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99983740) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99983740
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)c3ccc(F)cc3Cl)C2)c2ccccc21
InChIInChI=1S/C19H15ClFNO3/c20-16-10-12(21)6-7-14(16)17(23)22-9-3-8-19(11-22)15-5-2-1-4-13(15)18(24)25-19/h1-2,4-7,10H,3,8-9,11H2/t19-/m0/s1
InChIKeyLLTYLOAPZRFELU-IBGZPJMESA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99983740) is (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1O[C@]2(CCCN(C(=O)c3ccc(F)cc3Cl)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is LLTYLOAPZRFELU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClFNO3/c20-16-10-12(21)6-7-14(16)17(23)22-9-3-8-19(11-22)15-5-2-1-4-13(15)18(24)25-19/h1-2,4-7,10H,3,8-9,11H2/t19-/m0/s1.
What are the key properties of (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 359.78 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2-chloro-4-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99983740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).