9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide

C21H19F3N2O4 — CID 59493004

IUPAC9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H19F3N2O4/c22-21(23,24)20(29)15-5-2-1-4-13(15)18-14(19(25)28)10-12(11-16(18)20)30-9-8-26-7-3-6-17(26)27/h1-2,4-5,10-11,29H,3,6-9H2,(H2,25,28)
InChIKeyIZRHHVNNEPXUDM-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.57
Rot. Bonds5

About 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide

9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59493004) has the molecular formula C21H19F3N2O4 and a molecular weight of 420.39 g/mol. Its IUPAC name is 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59493004
Molecular FormulaC21H19F3N2O4
Molecular Weight420.39 g/mol
Exact Mass420.13
IUPAC Name9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H19F3N2O4/c22-21(23,24)20(29)15-5-2-1-4-13(15)18-14(19(25)28)10-12(11-16(18)20)30-9-8-26-7-3-6-17(26)27/h1-2,4-5,10-11,29H,3,6-9H2,(H2,25,28)
InChIKeyIZRHHVNNEPXUDM-UHFFFAOYSA-N
XLogP2.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]oxy-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164625366
1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
1-[2-[9-Hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492553
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492559
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699
(5S)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492828
9-Hydroxy-2-methoxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492853
9-Hydroxy-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492921
1-[2-[4-Acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492944
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492945
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492960
5-(Hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492975

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59493004) is 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide is NC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is IZRHHVNNEPXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4/c22-21(23,24)20(29)15-5-2-1-4-13(15)18-14(19(25)28)10-12(11-16(18)20)30-9-8-26-7-3-6-17(26)27/h1-2,4-5,10-11,29H,3,6-9H2,(H2,25,28).
What are the key properties of 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide?
9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59493004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).