[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

C24H26FN2O3+ — CID 9434510

IUPAC[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2ccccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-11-7-6-10-20(21)25)15-19-12-13-22(23(14-19)29-2)30-17-18-8-4-3-5-9-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1
InChIKeyHTTISAUEEXOXSA-UHFFFAOYSA-O
MW409.48 g/mol
LogP3.07
Rot. Bonds9

About [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (PubChem CID 9434510) has the molecular formula C24H26FN2O3+ and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
PubChem CID9434510
Molecular FormulaC24H26FN2O3+
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2ccccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-11-7-6-10-20(21)25)15-19-12-13-22(23(14-19)29-2)30-17-18-8-4-3-5-9-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1
InChIKeyHTTISAUEEXOXSA-UHFFFAOYSA-O
XLogP3.07
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434514
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 8798742
[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 2514338
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656783
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2495726

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (CID 9434510) is [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is COc1cc(C[NH+](C)CC(=O)Nc2ccccc2F)ccc1OCc1ccccc1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The InChIKey is HTTISAUEEXOXSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-11-7-6-10-20(21)25)15-19-12-13-22(23(14-19)29-2)30-17-18-8-4-3-5-9-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1.
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
[2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium has a molecular weight of 409.48 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9434510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).