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

C23H23Cl2FN2O3 — CID 58393757

IUPAC1-[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
SMILESO=C1CCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C23H23Cl2FN2O3/c24-13-8-17-16(19(26)9-13)11-20(27-7-5-15(29)12-27)23(17)31-21-10-14(3-4-18(21)25)28-6-1-2-22(28)30/h3-4,8-10,15,20,23,29H,1-2,5-7,11-12H2/t15-,20+,23+/m1/s1
InChIKeyODNHVNUVVSAJOO-XLHILCRZSA-N
MW465.35 g/mol
LogP4.37
Rot. Bonds4

About 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

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 (PubChem CID 58393757) has the molecular formula C23H23Cl2FN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID58393757
Molecular FormulaC23H23Cl2FN2O3
Molecular Weight465.35 g/mol
Exact Mass464.11
IUPAC Name1-[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
SMILESO=C1CCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C23H23Cl2FN2O3/c24-13-8-17-16(19(26)9-13)11-20(27-7-5-15(29)12-27)23(17)31-21-10-14(3-4-18(21)25)28-6-1-2-22(28)30/h3-4,8-10,15,20,23,29H,1-2,5-7,11-12H2/t15-,20+,23+/m1/s1
InChIKeyODNHVNUVVSAJOO-XLHILCRZSA-N
XLogP4.37
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCCN1c1ccc(Cl)c(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CC[C@@H](O)C2)c1.
What is the InChIKey of 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?
The InChIKey is ODNHVNUVVSAJOO-XLHILCRZSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O3/c24-13-8-17-16(19(26)9-13)11-20(27-7-5-15(29)12-27)23(17)31-21-10-14(3-4-18(21)25)28-6-1-2-22(28)30/h3-4,8-10,15,20,23,29H,1-2,5-7,11-12H2/t15-,20+,23+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 465.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58393757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).