2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

C19H15F3N2O3 — CID 59492652

IUPAC2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)18(27)13-5-2-1-4-11(13)15-12(16(23)25)8-10(9-14(15)18)17(26)24-6-3-7-24/h1-2,4-5,8-9,27H,3,6-7H2,(H2,23,25)
InChIKeyBNKOVSSSFWJDGP-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.41
Rot. Bonds2

About 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide

2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (PubChem CID 59492652) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.

Molecular Properties

Compound Name2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
PubChem CID59492652
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)18(27)13-5-2-1-4-11(13)15-12(16(23)25)8-10(9-14(15)18)17(26)24-6-3-7-24/h1-2,4-5,8-9,27H,3,6-7H2,(H2,23,25)
InChIKeyBNKOVSSSFWJDGP-UHFFFAOYSA-N
XLogP2.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
2-Ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492532
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
CID 59492542
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
CID 59492586
(3-Ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492603
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
CID 59492625
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 59492641
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670

Frequently Asked Questions

What is the IUPAC name of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The IUPAC name of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide (CID 59492652) is 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide.
What is the SMILES notation for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The canonical SMILES for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is NC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
The InChIKey is BNKOVSSSFWJDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)18(27)13-5-2-1-4-11(13)15-12(16(23)25)8-10(9-14(15)18)17(26)24-6-3-7-24/h1-2,4-5,8-9,27H,3,6-7H2,(H2,23,25).
What are the key properties of 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide?
2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide is sourced from PubChem (CID 59492652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).