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(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H18ClFN4O2 — CID 166614061

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)c2ccc(Cl)cc2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H18ClFN4O2/c1-27-11-9-25-19(27)18-22(15-4-2-3-5-17(15)26-21(22)30)8-10-28(18)20(29)14-7-6-13(23)12-16(14)24/h2-7,9,11-12,18H,8,10H2,1H3,(H,26,30)/t18-,22+/m0/s1
InChIKeyQQVPEIPTSHVMOQ-PGRDOPGGSA-N
MW424.86 g/mol
LogP3.69
Rot. Bonds2

About (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166614061) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166614061
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)c2ccc(Cl)cc2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H18ClFN4O2/c1-27-11-9-25-19(27)18-22(15-4-2-3-5-17(15)26-21(22)30)8-10-28(18)20(29)14-7-6-13(23)12-16(14)24/h2-7,9,11-12,18H,8,10H2,1H3,(H,26,30)/t18-,22+/m0/s1
InChIKeyQQVPEIPTSHVMOQ-PGRDOPGGSA-N
XLogP3.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166614061) is (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1[C@@H]1N(C(=O)c2ccc(Cl)cc2F)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QQVPEIPTSHVMOQ-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c1-27-11-9-25-19(27)18-22(15-4-2-3-5-17(15)26-21(22)30)8-10-28(18)20(29)14-7-6-13(23)12-16(14)24/h2-7,9,11-12,18H,8,10H2,1H3,(H,26,30)/t18-,22+/m0/s1.
What are the key properties of (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 424.86 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166614061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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