2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

C13H20FIN4O — CID 111089290

IUPAC2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-3-18(4-2)13(15)16-9-12(19)17-11-7-5-10(14)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,15,16)(H,17,19);1H
InChIKeyQLNYSMFZDCDTEX-UHFFFAOYSA-N
MW394.23 g/mol
LogP2.04
Rot. Bonds5

About 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111089290) has the molecular formula C13H20FIN4O and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111089290
Molecular FormulaC13H20FIN4O
Molecular Weight394.23 g/mol
Exact Mass394.07
IUPAC Name2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-3-18(4-2)13(15)16-9-12(19)17-11-7-5-10(14)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,15,16)(H,17,19);1H
InChIKeyQLNYSMFZDCDTEX-UHFFFAOYSA-N
XLogP2.04
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 52.04
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-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110919317
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343
N'-(4-fluorophenyl)propanediamide
CID 18174009
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320
tert-butyl 4-[N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111089332
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110981151

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 111089290) is 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is CCN(CC)/C(N)=N/CC(=O)Nc1ccc(F)cc1.I.
What is the InChIKey of 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is QLNYSMFZDCDTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.HI/c1-3-18(4-2)13(15)16-9-12(19)17-11-7-5-10(14)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,15,16)(H,17,19);1H.
What are the key properties of 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 394.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111089290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).