(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H22F2N2O3 — CID 166615210

IUPAC(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c(OC)ccc(F)c2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H22F2N2O3/c1-3-6-17-22(13-7-4-5-8-15(13)25-21(22)28)11-12-26(17)20(27)18-16(29-2)10-9-14(23)19(18)24/h4-5,7-10,17H,3,6,11-12H2,1-2H3,(H,25,28)/t17-,22+/m0/s1
InChIKeyHZVOIMBNVWKHSR-HTAPYJJXSA-N
MW400.43 g/mol
LogP3.88
Rot. Bonds4

About (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166615210) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166615210
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c(OC)ccc(F)c2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H22F2N2O3/c1-3-6-17-22(13-7-4-5-8-15(13)25-21(22)28)11-12-26(17)20(27)18-16(29-2)10-9-14(23)19(18)24/h4-5,7-10,17H,3,6,11-12H2,1-2H3,(H,25,28)/t17-,22+/m0/s1
InChIKeyHZVOIMBNVWKHSR-HTAPYJJXSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614275
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3S)-1'-(4-methoxypyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615299
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616899
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622386
(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423251
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166615210) is (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2c(OC)ccc(F)c2F)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HZVOIMBNVWKHSR-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c1-3-6-17-22(13-7-4-5-8-15(13)25-21(22)28)11-12-26(17)20(27)18-16(29-2)10-9-14(23)19(18)24/h4-5,7-10,17H,3,6,11-12H2,1-2H3,(H,25,28)/t17-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 400.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166615210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).