[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C17H22FN2O2+ — CID 8810391

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-13-7-8-15(22-13)11-20(2)12-17(21)19-10-9-14-5-3-4-6-16(14)18/h3-8H,9-12H2,1-2H3,(H,19,21)/p+1
InChIKeyAPOZJNNJUADLJV-UHFFFAOYSA-O
MW305.37 g/mol
LogP1.10
Rot. Bonds7

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 8810391) has the molecular formula C17H22FN2O2+ and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
PubChem CID8810391
Molecular FormulaC17H22FN2O2+
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2F)o1
InChIInChI=1S/C17H21FN2O2/c1-13-7-8-15(22-13)11-20(2)12-17(21)19-10-9-14-5-3-4-6-16(14)18/h3-8H,9-12H2,1-2H3,(H,19,21)/p+1
InChIKeyAPOZJNNJUADLJV-UHFFFAOYSA-O
XLogP1.10
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810331
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810405
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8794486
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9034400
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102608
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 8810391) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)CC(=O)NCCc2ccccc2F)o1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
The InChIKey is APOZJNNJUADLJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21FN2O2/c1-13-7-8-15(22-13)11-20(2)12-17(21)19-10-9-14-5-3-4-6-16(14)18/h3-8H,9-12H2,1-2H3,(H,19,21)/p+1.
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 305.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8810391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).