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

C24H18ClNO3 — CID 90853215

IUPAC(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)cc3Cl)C2)c2ccccc21
InChIInChI=1S/C24H18ClNO3/c25-21-14-17(16-6-2-1-3-7-16)10-11-19(21)22(27)26-13-12-24(15-26)20-9-5-4-8-18(20)23(28)29-24/h1-11,14H,12-13,15H2/t24-/m0/s1
InChIKeyGVMOVIYKGWZTKA-DEOSSOPVSA-N
MW403.87 g/mol
LogP4.92
Rot. Bonds2

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

(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 90853215) has the molecular formula C24H18ClNO3 and a molecular weight of 403.87 g/mol. Its IUPAC name is (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID90853215
Molecular FormulaC24H18ClNO3
Molecular Weight403.87 g/mol
Exact Mass403.10
IUPAC Name(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)cc3Cl)C2)c2ccccc21
InChIInChI=1S/C24H18ClNO3/c25-21-14-17(16-6-2-1-3-7-16)10-11-19(21)22(27)26-13-12-24(15-26)20-9-5-4-8-18(20)23(28)29-24/h1-11,14H,12-13,15H2/t24-/m0/s1
InChIKeyGVMOVIYKGWZTKA-DEOSSOPVSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 90853215) is (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)cc3Cl)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is GVMOVIYKGWZTKA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18ClNO3/c25-21-14-17(16-6-2-1-3-7-16)10-11-19(21)22(27)26-13-12-24(15-26)20-9-5-4-8-18(20)23(28)29-24/h1-11,14H,12-13,15H2/t24-/m0/s1.
What are the key properties of (3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 403.87 g/mol, XLogP of 4.92, 2 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-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 90853215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).