methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C16H18F3N2O3+ — CID 9102772

IUPACmethyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H17F3N2O3/c1-11-3-6-14(23-11)9-21(2)10-15(22)20-12-4-7-13(8-5-12)24-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)/p+1
InChIKeyZRTKZBCCSJSYBO-UHFFFAOYSA-O
MW343.33 g/mol
LogP2.14
Rot. Bonds6

About methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 9102772) has the molecular formula C16H18F3N2O3+ and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID9102772
Molecular FormulaC16H18F3N2O3+
Molecular Weight343.33 g/mol
Exact Mass343.13
IUPAC Namemethyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C16H17F3N2O3/c1-11-3-6-14(23-11)9-21(2)10-15(22)20-12-4-7-13(8-5-12)24-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)/p+1
InChIKeyZRTKZBCCSJSYBO-UHFFFAOYSA-O
XLogP2.14
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium with MolForge

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366572
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366427
[2-(methoxycarbonylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366371
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 7999044
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366235
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366621
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 9102772) is methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is ZRTKZBCCSJSYBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17F3N2O3/c1-11-3-6-14(23-11)9-21(2)10-15(22)20-12-4-7-13(8-5-12)24-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)/p+1.
What are the key properties of methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 343.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 9102772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).