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

C19H19FN2O3 — CID 52995768

IUPAC2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cc(OC)cc(C2NCCC23C(=O)Nc2ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O3/c1-24-13-7-11(8-14(10-13)25-2)17-19(5-6-21-17)15-9-12(20)3-4-16(15)22-18(19)23/h3-4,7-10,17,21H,5-6H2,1-2H3,(H,22,23)
InChIKeyIIMARLGIJHJGPN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.77
Rot. Bonds3

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

2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52995768) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52995768
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cc(OC)cc(C2NCCC23C(=O)Nc2ccc(F)cc23)c1
InChIInChI=1S/C19H19FN2O3/c1-24-13-7-11(8-14(10-13)25-2)17-19(5-6-21-17)15-9-12(20)3-4-16(15)22-18(19)23/h3-4,7-10,17,21H,5-6H2,1-2H3,(H,22,23)
InChIKeyIIMARLGIJHJGPN-UHFFFAOYSA-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

Horsfiline, (-)-
CID 11042617
(E)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90677056
(3E)-3-[(3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 44582483
N-[(3,5-Dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 53160361
(3S,3aR)-3-(3,5-dimethoxyphenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 168294805
1'-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 146415258
3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8589880
2'-(2,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 49652040
1'-(2-Fluorobenzoyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177025
1'-(4-Fluorobenzoyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177039
1'-(3-Fluorobenzoyl)-5-methoxy-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
CID 53177040
5-Methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidin]-2(1{H})-one
CID 53177053

Frequently Asked Questions

What is the IUPAC name of 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52995768) is 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1cc(OC)cc(C2NCCC23C(=O)Nc2ccc(F)cc23)c1.
What is the InChIKey of 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IIMARLGIJHJGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-24-13-7-11(8-14(10-13)25-2)17-19(5-6-21-17)15-9-12(20)3-4-16(15)22-18(19)23/h3-4,7-10,17,21H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
2'-(3,5-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'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52995768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).