9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide

C22H21F3N2O3 — CID 59492978

IUPAC9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(CCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C22H21F3N2O3/c23-22(24,25)21(30)16-7-2-1-6-14(16)19-15(20(26)29)11-13(12-17(19)21)5-3-9-27-10-4-8-18(27)28/h1-2,6-7,11-12,30H,3-5,8-10H2,(H2,26,29)
InChIKeySEGSOHGKVMXOFC-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.12
Rot. Bonds5

About 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide

9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492978) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492978
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(CCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C22H21F3N2O3/c23-22(24,25)21(30)16-7-2-1-6-14(16)19-15(20(26)29)11-13(12-17(19)21)5-3-9-27-10-4-8-18(27)28/h1-2,6-7,11-12,30H,3-5,8-10H2,(H2,26,29)
InChIKeySEGSOHGKVMXOFC-UHFFFAOYSA-N
XLogP3.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492978) is 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide is NC(=O)c1cc(CCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is SEGSOHGKVMXOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c23-22(24,25)21(30)16-7-2-1-6-14(16)19-15(20(26)29)11-13(12-17(19)21)5-3-9-27-10-4-8-18(27)28/h1-2,6-7,11-12,30H,3-5,8-10H2,(H2,26,29).
What are the key properties of 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide?
9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).