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

C24H26FN2O3+ — CID 9434514

IUPAC[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-10-6-9-20(25)14-21)15-19-11-12-22(23(13-19)29-2)30-17-18-7-4-3-5-8-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1
InChIKeyJYSZLCNRXJYCGD-UHFFFAOYSA-O
MW409.48 g/mol
LogP3.07
Rot. Bonds9

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

[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (PubChem CID 9434514) has the molecular formula C24H26FN2O3+ and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
PubChem CID9434514
Molecular FormulaC24H26FN2O3+
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)CC(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-10-6-9-20(25)14-21)15-19-11-12-22(23(13-19)29-2)30-17-18-7-4-3-5-8-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1
InChIKeyJYSZLCNRXJYCGD-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-(2-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 9434510
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252029
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123043
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698891
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431466
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (CID 9434514) is [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is COc1cc(C[NH+](C)CC(=O)Nc2cccc(F)c2)ccc1OCc1ccccc1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The InChIKey is JYSZLCNRXJYCGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25FN2O3/c1-27(16-24(28)26-21-10-6-9-20(25)14-21)15-19-11-12-22(23(13-19)29-2)30-17-18-7-4-3-5-8-18/h3-14H,15-17H2,1-2H3,(H,26,28)/p+1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
[2-(3-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-(3-fluoroanilino)-2-oxoethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9434514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).