[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium

C18H20Cl2FN2O2+ — CID 9349163

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H19Cl2FN2O2/c1-3-23(10-12-7-8-16(25-2)14(21)9-12)11-17(24)22-15-6-4-5-13(19)18(15)20/h4-9H,3,10-11H2,1-2H3,(H,22,24)/p+1
InChIKeyNJHCHWULSTVYRW-UHFFFAOYSA-O
MW386.27 g/mol
LogP3.18
Rot. Bonds7

About [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium

[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium (PubChem CID 9349163) has the molecular formula C18H20Cl2FN2O2+ and a molecular weight of 386.27 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
PubChem CID9349163
Molecular FormulaC18H20Cl2FN2O2+
Molecular Weight386.27 g/mol
Exact Mass385.09
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H19Cl2FN2O2/c1-3-23(10-12-7-8-16(25-2)14(21)9-12)11-17(24)22-15-6-4-5-13(19)18(15)20/h4-9H,3,10-11H2,1-2H3,(H,22,24)/p+1
InChIKeyNJHCHWULSTVYRW-UHFFFAOYSA-O
XLogP3.18
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium with MolForge

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Related Compounds

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9349147
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9349101
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8912321
ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349287
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9349205
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349399
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349411
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 8710865

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium (CID 9349163) is [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium is CC[NH+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(OC)c(F)c1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The InChIKey is NJHCHWULSTVYRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2FN2O2/c1-3-23(10-12-7-8-16(25-2)14(21)9-12)11-17(24)22-15-6-4-5-13(19)18(15)20/h4-9H,3,10-11H2,1-2H3,(H,22,24)/p+1.
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium has a molecular weight of 386.27 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 9349163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).