(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

C17H12Cl2F2N2O — CID 143648276

IUPAC(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2[C@@]12CNC[C@@H]2c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12Cl2F2N2O/c18-11-3-8(1-2-13(11)20)10-6-22-7-17(10)9-4-14(21)12(19)5-15(9)23-16(17)24/h1-5,10,22H,6-7H2,(H,23,24)/t10-,17-/m1/s1
InChIKeyKUDNUUVNBPHNRB-BMLIUANNSA-N
MW369.20 g/mol
LogP3.85
Rot. Bonds1

About (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 143648276) has the molecular formula C17H12Cl2F2N2O and a molecular weight of 369.20 g/mol. Its IUPAC name is (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID143648276
Molecular FormulaC17H12Cl2F2N2O
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2[C@@]12CNC[C@@H]2c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12Cl2F2N2O/c18-11-3-8(1-2-13(11)20)10-6-22-7-17(10)9-4-14(21)12(19)5-15(9)23-16(17)24/h1-5,10,22H,6-7H2,(H,23,24)/t10-,17-/m1/s1
InChIKeyKUDNUUVNBPHNRB-BMLIUANNSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 163423174
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52898950
(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one
CID 58254299
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 70309511
2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 77252133
5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
CID 103996520
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride
CID 157191898
(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5'-[2-[(3S,4R)-3,4-dihydroxycyclopentyl]acetyl]-2'-(2,2-dimethylpropyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 58254354
(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 146096853
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)ethyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 143648318
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956

Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 143648276) is (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2cc(Cl)c(F)cc2[C@@]12CNC[C@@H]2c1ccc(F)c(Cl)c1.
What is the InChIKey of (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KUDNUUVNBPHNRB-BMLIUANNSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O/c18-11-3-8(1-2-13(11)20)10-6-22-7-17(10)9-4-14(21)12(19)5-15(9)23-16(17)24/h1-5,10,22H,6-7H2,(H,23,24)/t10-,17-/m1/s1.
What are the key properties of (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 369.20 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 143648276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).