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

C13H20FIN4O — CID 111089284

IUPAC2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCC(C)CN/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-9(2)7-16-13(15)17-8-12(19)18-11-5-3-10(14)4-6-11;/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyYAOONHGOGWTFKO-UHFFFAOYSA-N
MW394.23 g/mol
LogP1.94
Rot. Bonds5

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

2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111089284) has the molecular formula C13H20FIN4O and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111089284
Molecular FormulaC13H20FIN4O
Molecular Weight394.23 g/mol
Exact Mass394.07
IUPAC Name2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCC(C)CN/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-9(2)7-16-13(15)17-8-12(19)18-11-5-3-10(14)4-6-11;/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyYAOONHGOGWTFKO-UHFFFAOYSA-N
XLogP1.94
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 51.94
H-Bond Donors ≤ 53
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-(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
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
CID 111093213
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089306
2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111715447
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
CID 111093384
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111704391

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 111089284) is 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is CC(C)CN/C(N)=N/CC(=O)Nc1ccc(F)cc1.I.
What is the InChIKey of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is YAOONHGOGWTFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.HI/c1-9(2)7-16-13(15)17-8-12(19)18-11-5-3-10(14)4-6-11;/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H3,15,16,17);1H.
What are the key properties of 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 394.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111089284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).