2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

C18H26FIN4O — CID 111733266

IUPAC2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C18H25FN4O.HI/c1-20-17(23-11-10-18(13-23)8-2-3-9-18)21-12-16(24)22-15-6-4-14(19)5-7-15;/h4-7H,2-3,8-13H2,1H3,(H,20,21)(H,22,24);1H
InChIKeyGJPGGIQZVMHSOI-UHFFFAOYSA-N
MW460.34 g/mol
LogP3.22
Rot. Bonds3

About 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111733266) has the molecular formula C18H26FIN4O and a molecular weight of 460.34 g/mol. Its IUPAC name is 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111733266
Molecular FormulaC18H26FIN4O
Molecular Weight460.34 g/mol
Exact Mass460.11
IUPAC Name2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESC/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C18H25FN4O.HI/c1-20-17(23-11-10-18(13-23)8-2-3-9-18)21-12-16(24)22-15-6-4-14(19)5-7-15;/h4-7H,2-3,8-13H2,1H3,(H,20,21)(H,22,24);1H
InChIKeyGJPGGIQZVMHSOI-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111744411
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111744212
1-[4-[[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111733027
N-(4-fluorophenyl)-2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide
CID 111148741
N-(4-fluorophenyl)-2-[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111736738
ethyl 1-[N-[2-(4-fluoroanilino)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993801
N-(4-fluorophenyl)-2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111302752
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119145369
2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-phenylacetamide
CID 111165421
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
4-[[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111733382
4-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111744431

Frequently Asked Questions

What is the IUPAC name of 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 111733266) is 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is C/N=C(\NCC(=O)Nc1ccc(F)cc1)N1CCC2(CCCC2)C1.I.
What is the InChIKey of 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is GJPGGIQZVMHSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O.HI/c1-20-17(23-11-10-18(13-23)8-2-3-9-18)21-12-16(24)22-15-6-4-14(19)5-7-15;/h4-7H,2-3,8-13H2,1H3,(H,20,21)(H,22,24);1H.
What are the key properties of 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 460.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111733266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).