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

C13H20FIN4O — CID 110919317

IUPAC2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-3-9(2)17-13(15)16-8-12(19)18-11-6-4-10(14)5-7-11;/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyXXEXWGWJYPDUNJ-UHFFFAOYSA-N
MW394.23 g/mol
LogP2.09
Rot. Bonds5

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

2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 110919317) has the molecular formula C13H20FIN4O and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID110919317
Molecular FormulaC13H20FIN4O
Molecular Weight394.23 g/mol
Exact Mass394.07
IUPAC Name2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(=O)Nc1ccc(F)cc1.I
InChIInChI=1S/C13H19FN4O.HI/c1-3-9(2)17-13(15)16-8-12(19)18-11-6-4-10(14)5-7-11;/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyXXEXWGWJYPDUNJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253555
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101396
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117591
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine;hydroiodide
CID 111498002
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 110919317) is 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is CCC(C)N/C(N)=N/CC(=O)Nc1ccc(F)cc1.I.
What is the InChIKey of 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is XXEXWGWJYPDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.HI/c1-3-9(2)17-13(15)16-8-12(19)18-11-6-4-10(14)5-7-11;/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H3,15,16,17);1H.
What are the key properties of 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 394.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 110919317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).