1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C20H18F2N2O3 — CID 53177266

IUPAC1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccc(F)c(F)c3)C1)C(=O)N2C
InChIInChI=1S/C20H18F2N2O3/c1-23-17-6-4-13(27-2)10-14(17)20(19(23)26)7-8-24(11-20)18(25)12-3-5-15(21)16(22)9-12/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyHLZBHMJDQXVASK-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.73
Rot. Bonds2

About 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177266) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177266
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccc(F)c(F)c3)C1)C(=O)N2C
InChIInChI=1S/C20H18F2N2O3/c1-23-17-6-4-13(27-2)10-14(17)20(19(23)26)7-8-24(11-20)18(25)12-3-5-15(21)16(22)9-12/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyHLZBHMJDQXVASK-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
(3S)-5-methoxy-1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104122
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177325

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177266) is 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3ccc(F)c(F)c3)C1)C(=O)N2C.
What is the InChIKey of 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HLZBHMJDQXVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-23-17-6-4-13(27-2)10-14(17)20(19(23)26)7-8-24(11-20)18(25)12-3-5-15(21)16(22)9-12/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 372.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).