(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H19FN2O3 — CID 52897645

IUPAC(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(OC)c([C@@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O3/c1-24-12-4-6-16(25-2)13(10-12)17-19(7-8-21-17)14-9-11(20)3-5-15(14)22-18(19)23/h3-6,9-10,17,21H,7-8H2,1-2H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyHINAQJUAGMVCCT-HKUYNNGSSA-N
MW342.37 g/mol
LogP2.77
Rot. Bonds3

About (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52897645) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52897645
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(OC)c([C@@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O3/c1-24-12-4-6-16(25-2)13(10-12)17-19(7-8-21-17)14-9-11(20)3-5-15(14)22-18(19)23/h3-6,9-10,17,21H,7-8H2,1-2H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyHINAQJUAGMVCCT-HKUYNNGSSA-N
XLogP2.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897641
2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52995768
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 143538645
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52898950
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905363
1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
CID 82624045
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92726677
2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 52994353
(2'S,3S)-2'-(3-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 51971151
3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
CID 58485436
N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide
CID 126475737

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52897645) is (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc(OC)c([C@@H]2NCC[C@@]23C(=O)Nc2ccc(F)cc23)c1.
What is the InChIKey of (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HINAQJUAGMVCCT-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-24-12-4-6-16(25-2)13(10-12)17-19(7-8-21-17)14-9-11(20)3-5-15(14)22-18(19)23/h3-6,9-10,17,21H,7-8H2,1-2H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52897645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).