(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone

C24H25F2NO2 — CID 58641358

IUPAC(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone
SMILESO=C([C@@H](O)C1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C24H25F2NO2/c25-19-11-12-21(26)20(14-19)18-13-22(16-7-3-1-4-8-16)27(15-18)24(29)23(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,22-23,28H,2,5-6,9-10,15H2/t22?,23-/m0/s1
InChIKeyJJMMVYLMRLCSJF-WCSIJFPASA-N
MW397.47 g/mol
LogP4.87
Rot. Bonds4

About (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone

(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone (PubChem CID 58641358) has the molecular formula C24H25F2NO2 and a molecular weight of 397.47 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone
PubChem CID58641358
Molecular FormulaC24H25F2NO2
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone
SMILESO=C([C@@H](O)C1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C24H25F2NO2/c25-19-11-12-21(26)20(14-19)18-13-22(16-7-3-1-4-8-16)27(15-18)24(29)23(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,22-23,28H,2,5-6,9-10,15H2/t22?,23-/m0/s1
InChIKeyJJMMVYLMRLCSJF-WCSIJFPASA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone?
The IUPAC name of (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone (CID 58641358) is (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone.
What is the SMILES notation for (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone?
The canonical SMILES for (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone is O=C([C@@H](O)C1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1.
What is the InChIKey of (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone?
The InChIKey is JJMMVYLMRLCSJF-WCSIJFPASA-N. The full InChI is InChI=1S/C24H25F2NO2/c25-19-11-12-21(26)20(14-19)18-13-22(16-7-3-1-4-8-16)27(15-18)24(29)23(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,22-23,28H,2,5-6,9-10,15H2/t22?,23-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone?
(2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone has a molecular weight of 397.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 58641358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).