ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C15H21FN3O3+ — CID 9349421

IUPACethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CCNC1=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H20FN3O3/c1-3-18(10-14(20)19-7-6-17-15(19)21)9-11-4-5-13(22-2)12(16)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyAKMWIJQMVJLDJJ-UHFFFAOYSA-O
MW310.35 g/mol
LogP-0.21
Rot. Bonds6

About ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 9349421) has the molecular formula C15H21FN3O3+ and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID9349421
Molecular FormulaC15H21FN3O3+
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CCNC1=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H20FN3O3/c1-3-18(10-14(20)19-7-6-17-15(19)21)9-11-4-5-13(22-2)12(16)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyAKMWIJQMVJLDJJ-UHFFFAOYSA-O
XLogP-0.21
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium with MolForge

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Related Compounds

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9349297
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9349205
ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349287
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9349101
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9349147
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349411
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
2-(1,3-dioxoisoindol-2-yl)ethyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 8911967
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299345
[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349163

Frequently Asked Questions

What is the IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 9349421) is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is CC[NH+](CC(=O)N1CCNC1=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is AKMWIJQMVJLDJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20FN3O3/c1-3-18(10-14(20)19-7-6-17-15(19)21)9-11-4-5-13(22-2)12(16)8-11/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)/p+1.
What are the key properties of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 310.35 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 9349421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).