cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium

C18H25F3N3O2+ — CID 9265188

IUPACcyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCCC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H24F3N3O2/c19-13-8-9-14(18(21)17(13)20)24-16(26)11-23-15(25)10-22-12-6-4-2-1-3-5-7-12/h8-9,12,22H,1-7,10-11H2,(H,23,25)(H,24,26)/p+1
InChIKeyIVOSGZUFWCVBGI-UHFFFAOYSA-O
MW372.41 g/mol
LogP1.83
Rot. Bonds6

About cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium

cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium (PubChem CID 9265188) has the molecular formula C18H25F3N3O2+ and a molecular weight of 372.41 g/mol. Its IUPAC name is cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
PubChem CID9265188
Molecular FormulaC18H25F3N3O2+
Molecular Weight372.41 g/mol
Exact Mass372.19
IUPAC Namecyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCCC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H24F3N3O2/c19-13-8-9-14(18(21)17(13)20)24-16(26)11-23-15(25)10-22-12-6-4-2-1-3-5-7-12/h8-9,12,22H,1-7,10-11H2,(H,23,25)(H,24,26)/p+1
InChIKeyIVOSGZUFWCVBGI-UHFFFAOYSA-O
XLogP1.83
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
CID 9265335
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265532
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
CID 8741883
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111144387
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The IUPAC name of cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium (CID 9265188) is cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The canonical SMILES for cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium is O=C(C[NH2+]C1CCCCCCC1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The InChIKey is IVOSGZUFWCVBGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24F3N3O2/c19-13-8-9-14(18(21)17(13)20)24-16(26)11-23-15(25)10-22-12-6-4-2-1-3-5-7-12/h8-9,12,22H,1-7,10-11H2,(H,23,25)(H,24,26)/p+1.
What are the key properties of cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium has a molecular weight of 372.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium is sourced from PubChem (CID 9265188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).