2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

C20H16F3N3O3 — CID 46191619

IUPAC2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESCn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O3/c1-26-9-11(8-25-26)14-6-12(29-10-17(24)27)7-16-18(14)13-4-2-3-5-15(13)19(16,28)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)
InChIKeyMUNDNRROFYNKFQ-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.73
Rot. Bonds4

About 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (PubChem CID 46191619) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
PubChem CID46191619
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESCn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C20H16F3N3O3/c1-26-9-11(8-25-26)14-6-12(29-10-17(24)27)7-16-18(14)13-4-2-3-5-15(13)19(16,28)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)
InChIKeyMUNDNRROFYNKFQ-UHFFFAOYSA-N
XLogP2.73
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The IUPAC name of 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (CID 46191619) is 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.
What is the SMILES notation for 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The canonical SMILES for 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is Cn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The InChIKey is MUNDNRROFYNKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-26-9-11(8-25-26)14-6-12(29-10-17(24)27)7-16-18(14)13-4-2-3-5-15(13)19(16,28)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27).
What are the key properties of 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide has a molecular weight of 403.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is sourced from PubChem (CID 46191619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).