5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one

C18H14F3NO2 — CID 138402746

IUPAC5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILES[2H]N(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3/i/hD
InChIKeyNYRMIJKDBAQCHC-DYCDLGHISA-N
MW334.32 g/mol
LogP3.93
Rot. Bonds3

About 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one

5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one (PubChem CID 138402746) has the molecular formula C18H14F3NO2 and a molecular weight of 334.32 g/mol. Its IUPAC name is 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one.

Molecular Properties

Compound Name5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
PubChem CID138402746
Molecular FormulaC18H14F3NO2
Molecular Weight334.32 g/mol
Exact Mass334.10
IUPAC Name5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
SMILES[2H]N(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3/i/hD
InChIKeyNYRMIJKDBAQCHC-DYCDLGHISA-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 ≤ 500334.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(1-phenylethyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70456358
2-(2,3-dihydro-1H-pyrrol-4-yl)-5-(ethylsulfanylmethylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 70452783
5-cyclopentyl-3-(methylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153254
3-amino-5-(fluoromethyl)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153066
5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153153
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
CID 102125689
[2-amino-5-deuterio-4-oxo-5-[3-(trifluoromethyl)phenyl]furan-3-yl] phenylmethanesulfonate
CID 175997788
methyl 4-(furan-2-yl)-5-(methylamino)-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentene-1-carboxylate
CID 154390829
phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 77401770
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903

Frequently Asked Questions

What is the IUPAC name of 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The IUPAC name of 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one (CID 138402746) is 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one.
What is the SMILES notation for 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The canonical SMILES for 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one is [2H]N(C)C1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1.
What is the InChIKey of 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
The InChIKey is NYRMIJKDBAQCHC-DYCDLGHISA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3/i/hD.
What are the key properties of 5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one?
5-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one has a molecular weight of 334.32 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-[deuterio(methyl)amino]-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one is sourced from PubChem (CID 138402746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).