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

C22H18ClFN4O2 — CID 166614061

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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Related Compounds

1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624246
(2'R,3R)-1'-(5-fluoro-2-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612358
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622806
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616832
(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624050
2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622043
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
(2'R,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171711902
(2'R,3R)-1'-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616575

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).