cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium

C16H23F2N2O+ — CID 9265335

IUPACcyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c17-12-8-9-15(14(18)10-12)20-16(21)11-19-13-6-4-2-1-3-5-7-13/h8-10,13,19H,1-7,11H2,(H,20,21)/p+1
InChIKeyRKNYTWLXROPDKN-UHFFFAOYSA-O
MW297.37 g/mol
LogP2.58
Rot. Bonds4

About cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium

cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium (PubChem CID 9265335) has the molecular formula C16H23F2N2O+ and a molecular weight of 297.37 g/mol. Its IUPAC name is cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
PubChem CID9265335
Molecular FormulaC16H23F2N2O+
Molecular Weight297.37 g/mol
Exact Mass297.18
IUPAC Namecyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c17-12-8-9-15(14(18)10-12)20-16(21)11-19-13-6-4-2-1-3-5-7-13/h8-10,13,19H,1-7,11H2,(H,20,21)/p+1
InChIKeyRKNYTWLXROPDKN-UHFFFAOYSA-O
XLogP2.58
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265532
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium (CID 9265335) is cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium is O=C(C[NH2+]C1CCCCCCC1)Nc1ccc(F)cc1F.
What is the InChIKey of cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium?
The InChIKey is RKNYTWLXROPDKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22F2N2O/c17-12-8-9-15(14(18)10-12)20-16(21)11-19-13-6-4-2-1-3-5-7-13/h8-10,13,19H,1-7,11H2,(H,20,21)/p+1.
What are the key properties of cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium?
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium has a molecular weight of 297.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9265335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).