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

C24H24Cl2FN3O4 — CID 58393452

IUPAC3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C24H24Cl2FN3O4/c1-24(2)22(32)30(23(33)28-24)13-3-4-17(26)20(9-13)34-21-16-7-12(25)8-18(27)15(16)10-19(21)29-6-5-14(31)11-29/h3-4,7-9,14,19,21,31H,5-6,10-11H2,1-2H3,(H,28,33)/t14-,19+,21+/m1/s1
InChIKeyRPTHURRTVQVORG-RFVSGWPVSA-N
MW508.38 g/mol
LogP4.08
Rot. Bonds4

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

3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58393452) has the molecular formula C24H24Cl2FN3O4 and a molecular weight of 508.38 g/mol. Its IUPAC name is 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58393452
Molecular FormulaC24H24Cl2FN3O4
Molecular Weight508.38 g/mol
Exact Mass507.11
IUPAC Name3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C24H24Cl2FN3O4/c1-24(2)22(32)30(23(33)28-24)13-3-4-17(26)20(9-13)34-21-16-7-12(25)8-18(27)15(16)10-19(21)29-6-5-14(31)11-29/h3-4,7-9,14,19,21,31H,5-6,10-11H2,1-2H3,(H,28,33)/t14-,19+,21+/m1/s1
InChIKeyRPTHURRTVQVORG-RFVSGWPVSA-N
XLogP4.08
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58393452) is 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(Cl)c(O[C@H]3c4cc(Cl)cc(F)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O.
What is the InChIKey of 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RPTHURRTVQVORG-RFVSGWPVSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O4/c1-24(2)22(32)30(23(33)28-24)13-3-4-17(26)20(9-13)34-21-16-7-12(25)8-18(27)15(16)10-19(21)29-6-5-14(31)11-29/h3-4,7-9,14,19,21,31H,5-6,10-11H2,1-2H3,(H,28,33)/t14-,19+,21+/m1/s1.
What are the key properties of 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 508.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58393452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).