[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium

C18H21F2N2O2+ — CID 8799316

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-3-24-14-9-7-13(8-10-14)11-22(2)12-17(23)21-18-15(19)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)/p+1
InChIKeyZCTSYZQEVBBQBI-UHFFFAOYSA-O
MW335.37 g/mol
LogP2.02
Rot. Bonds7

About [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium

[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium (PubChem CID 8799316) has the molecular formula C18H21F2N2O2+ and a molecular weight of 335.37 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
PubChem CID8799316
Molecular FormulaC18H21F2N2O2+
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-3-24-14-9-7-13(8-10-14)11-22(2)12-17(23)21-18-15(19)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)/p+1
InChIKeyZCTSYZQEVBBQBI-UHFFFAOYSA-O
XLogP2.02
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221571
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8799055

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium (CID 8799316) is [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The InChIKey is ZCTSYZQEVBBQBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F2N2O2/c1-3-24-14-9-7-13(8-10-14)11-22(2)12-17(23)21-18-15(19)5-4-6-16(18)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)/p+1.
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium?
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium has a molecular weight of 335.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8799316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).