5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one

C18H14F3NO2 — CID 2765920

IUPAC5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one
SMILESCNC1=C(c2ccc(C(F)(F)F)cc2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(11-7-9-13(10-8-11)18(19,20)21)15(23)16(24-17)12-5-3-2-4-6-12/h2-10,16,22H,1H3
InChIKeyBUTVANDMTMJLII-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.93
Rot. Bonds3

About 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one

5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one (PubChem CID 2765920) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one
PubChem CID2765920
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one
SMILESCNC1=C(c2ccc(C(F)(F)F)cc2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(11-7-9-13(10-8-11)18(19,20)21)15(23)16(24-17)12-5-3-2-4-6-12/h2-10,16,22H,1H3
InChIKeyBUTVANDMTMJLII-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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-4-[4-(trifluoromethyl)phenyl]furan-3-one?
The IUPAC name of 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one (CID 2765920) is 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one.
What is the SMILES notation for 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one?
The canonical SMILES for 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one is CNC1=C(c2ccc(C(F)(F)F)cc2)C(=O)C(c2ccccc2)O1.
What is the InChIKey of 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one?
The InChIKey is BUTVANDMTMJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-22-17-14(11-7-9-13(10-8-11)18(19,20)21)15(23)16(24-17)12-5-3-2-4-6-12/h2-10,16,22H,1H3.
What are the key properties of 5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one?
5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]furan-3-one has a molecular weight of 333.31 g/mol, XLogP of 3.93, 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-4-[4-(trifluoromethyl)phenyl]furan-3-one is sourced from PubChem (CID 2765920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).