(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H23FN2O2 — CID 166614275

IUPAC(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(C)cc2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H23FN2O2/c1-3-6-19-22(16-7-4-5-8-18(16)24-21(22)27)11-12-25(19)20(26)15-10-9-14(2)13-17(15)23/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3,(H,24,27)/t19-,22+/m0/s1
InChIKeyZRBMKXPXBGJYPP-SIKLNZKXSA-N
MW366.44 g/mol
LogP4.04
Rot. Bonds3

About (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166614275) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166614275
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(C)cc2F)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H23FN2O2/c1-3-6-19-22(16-7-4-5-8-18(16)24-21(22)27)11-12-25(19)20(26)15-10-9-14(2)13-17(15)23/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3,(H,24,27)/t19-,22+/m0/s1
InChIKeyZRBMKXPXBGJYPP-SIKLNZKXSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166614275) is (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2ccc(C)cc2F)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ZRBMKXPXBGJYPP-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-3-6-19-22(16-7-4-5-8-18(16)24-21(22)27)11-12-25(19)20(26)15-10-9-14(2)13-17(15)23/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3,(H,24,27)/t19-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 366.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166614275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).