(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

C17H13ClF2N2O — CID 52898950

IUPAC(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccc(F)cc2[C@@]12CCN[C@H]2c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClF2N2O/c18-12-7-9(1-3-13(12)20)15-17(5-6-21-15)11-8-10(19)2-4-14(11)22-16(17)23/h1-4,7-8,15,21H,5-6H2,(H,22,23)/t15-,17+/m0/s1
InChIKeySFSASMOUQJJOHM-DOTOQJQBSA-N
MW334.75 g/mol
LogP3.54
Rot. Bonds1

About (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52898950) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52898950
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccc(F)cc2[C@@]12CCN[C@H]2c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClF2N2O/c18-12-7-9(1-3-13(12)20)15-17(5-6-21-15)11-8-10(19)2-4-14(11)22-16(17)23/h1-4,7-8,15,21H,5-6H2,(H,22,23)/t15-,17+/m0/s1
InChIKeySFSASMOUQJJOHM-DOTOQJQBSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52898950) is (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccc(F)cc2[C@@]12CCN[C@H]2c1ccc(F)c(Cl)c1.
What is the InChIKey of (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is SFSASMOUQJJOHM-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c18-12-7-9(1-3-13(12)20)15-17(5-6-21-15)11-8-10(19)2-4-14(11)22-16(17)23/h1-4,7-8,15,21H,5-6H2,(H,22,23)/t15-,17+/m0/s1.
What are the key properties of (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 334.75 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).