5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one

C18H14F3NO2 — CID 22001207

IUPAC5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESCNC1=CC(=O)C(c2ccccc2)(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-16-11-15(23)17(24-16,12-6-3-2-4-7-12)13-8-5-9-14(10-13)18(19,20)21/h2-11,22H,1H3
InChIKeyQIZSKINMPCVBGV-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.61
Rot. Bonds3

About 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one

5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one (PubChem CID 22001207) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one
PubChem CID22001207
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one
SMILESCNC1=CC(=O)C(c2ccccc2)(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-16-11-15(23)17(24-16,12-6-3-2-4-7-12)13-8-5-9-14(10-13)18(19,20)21/h2-11,22H,1H3
InChIKeyQIZSKINMPCVBGV-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one?
The IUPAC name of 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one (CID 22001207) is 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one.
What is the SMILES notation for 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one?
The canonical SMILES for 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one is CNC1=CC(=O)C(c2ccccc2)(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one?
The InChIKey is QIZSKINMPCVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-22-16-11-15(23)17(24-16,12-6-3-2-4-7-12)13-8-5-9-14(10-13)18(19,20)21/h2-11,22H,1H3.
What are the key properties of 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one?
5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one has a molecular weight of 333.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-phenyl-2-[3-(trifluoromethyl)phenyl]furan-3-one is sourced from PubChem (CID 22001207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).