N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide

C15H22FIN4O2 — CID 111091935

IUPACN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C15H21FN4O2.HI/c16-13-3-1-12(2-4-13)11-14(21)18-5-6-19-15(17)20-7-9-22-10-8-20;/h1-4H,5-11H2,(H2,17,19)(H,18,21);1H
InChIKeyVMZPUBCNJRNRHO-UHFFFAOYSA-N
MW436.27 g/mol
LogP0.75
Rot. Bonds5

About N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide

N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111091935) has the molecular formula C15H22FIN4O2 and a molecular weight of 436.27 g/mol. Its IUPAC name is N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111091935
Molecular FormulaC15H22FIN4O2
Molecular Weight436.27 g/mol
Exact Mass436.08
IUPAC NameN-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C15H21FN4O2.HI/c16-13-3-1-12(2-4-13)11-14(21)18-5-6-19-15(17)20-7-9-22-10-8-20;/h1-4H,5-11H2,(H2,17,19)(H,18,21);1H
InChIKeyVMZPUBCNJRNRHO-UHFFFAOYSA-N
XLogP0.75
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111752497
N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111027849
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111144923
N-[2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-3-bromobenzamide;hydroiodide
CID 111095125
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111212075
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide (CID 111091935) is N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide is I.N/C(=N\CCNC(=O)Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is VMZPUBCNJRNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2.HI/c16-13-3-1-12(2-4-13)11-14(21)18-5-6-19-15(17)20-7-9-22-10-8-20;/h1-4H,5-11H2,(H2,17,19)(H,18,21);1H.
What are the key properties of N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide?
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 436.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111091935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).