3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C24H23Cl3N2O5 — CID 58394184

IUPAC3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C24H23Cl3N2O5/c1-24(2)22(31)29(23(32)34-24)13-3-4-17(26)20(9-13)33-21-16-7-12(25)8-18(27)15(16)10-19(21)28-6-5-14(30)11-28/h3-4,7-9,14,19,21,30H,5-6,10-11H2,1-2H3/t14-,19+,21+/m1/s1
InChIKeyLVQQHNPIWFZYFO-RFVSGWPVSA-N
MW525.82 g/mol
LogP5.02
Rot. Bonds4

About 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 58394184) has the molecular formula C24H23Cl3N2O5 and a molecular weight of 525.82 g/mol. Its IUPAC name is 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID58394184
Molecular FormulaC24H23Cl3N2O5
Molecular Weight525.82 g/mol
Exact Mass524.07
IUPAC Name3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C24H23Cl3N2O5/c1-24(2)22(31)29(23(32)34-24)13-3-4-17(26)20(9-13)33-21-16-7-12(25)8-18(27)15(16)10-19(21)28-6-5-14(30)11-28/h3-4,7-9,14,19,21,30H,5-6,10-11H2,1-2H3/t14-,19+,21+/m1/s1
InChIKeyLVQQHNPIWFZYFO-RFVSGWPVSA-N
XLogP5.02
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67310481
3-[4-chloro-3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3-oxazolidin-2-one
CID 67311074
3-[3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67309793
1-[4-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-methylimidazol-2-one
CID 67310278
1-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
CID 58393757
(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 141341706
1-[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3H-pyrrol-2-one
CID 58394203
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methylphenyl]-3-methylimidazol-2-one
CID 58393680
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393493
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67337392
4-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzenesulfonamide
CID 67311249
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,3-dimethylphenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67311481

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 58394184) is 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O.
What is the InChIKey of 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is LVQQHNPIWFZYFO-RFVSGWPVSA-N. The full InChI is InChI=1S/C24H23Cl3N2O5/c1-24(2)22(31)29(23(32)34-24)13-3-4-17(26)20(9-13)33-21-16-7-12(25)8-18(27)15(16)10-19(21)28-6-5-14(30)11-28/h3-4,7-9,14,19,21,30H,5-6,10-11H2,1-2H3/t14-,19+,21+/m1/s1.
What are the key properties of 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 525.82 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58394184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).