[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium

C24H25FN3O3+ — CID 8011340

IUPAC[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
SMILESCc1ccc(Oc2ccc(NC(=O)C[NH+](C)CC(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H24FN3O3/c1-17-6-10-21(11-7-17)31-22-12-8-19(9-13-22)26-23(29)15-28(2)16-24(30)27-20-5-3-4-18(25)14-20/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyZDXANMKAEBICSD-UHFFFAOYSA-O
MW422.48 g/mol
LogP3.02
Rot. Bonds8

About [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium

[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium (PubChem CID 8011340) has the molecular formula C24H25FN3O3+ and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
PubChem CID8011340
Molecular FormulaC24H25FN3O3+
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
SMILESCc1ccc(Oc2ccc(NC(=O)C[NH+](C)CC(=O)Nc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C24H24FN3O3/c1-17-6-10-21(11-7-17)31-22-12-8-19(9-13-22)26-23(29)15-28(2)16-24(30)27-20-5-3-4-18(25)14-20/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyZDXANMKAEBICSD-UHFFFAOYSA-O
XLogP3.02
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-(3-fluoroanilino)-2-oxoethyl]-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9250680
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
[2-(2,5-dimethylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2714120
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 9053579
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250391
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium
CID 8846536

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium (CID 8011340) is [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium is Cc1ccc(Oc2ccc(NC(=O)C[NH+](C)CC(=O)Nc3cccc(F)c3)cc2)cc1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium?
The InChIKey is ZDXANMKAEBICSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24FN3O3/c1-17-6-10-21(11-7-17)31-22-12-8-19(9-13-22)26-23(29)15-28(2)16-24(30)27-20-5-3-4-18(25)14-20/h3-14H,15-16H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium?
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium has a molecular weight of 422.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8011340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).