2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

C14H22FIN4O — CID 111089372

IUPAC2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(=O)Nc1cccc(F)c1.I
InChIInChI=1S/C14H21FN4O.HI/c1-10(2)6-7-17-14(16)18-9-13(20)19-12-5-3-4-11(15)8-12;/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)(H3,16,17,18);1H
InChIKeyDHFMNYMAUQSQEJ-UHFFFAOYSA-N
MW408.26 g/mol
LogP2.33
Rot. Bonds6

About 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (PubChem CID 111089372) has the molecular formula C14H22FIN4O and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
PubChem CID111089372
Molecular FormulaC14H22FIN4O
Molecular Weight408.26 g/mol
Exact Mass408.08
IUPAC Name2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(=O)Nc1cccc(F)c1.I
InChIInChI=1S/C14H21FN4O.HI/c1-10(2)6-7-17-14(16)18-9-13(20)19-12-5-3-4-11(15)8-12;/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)(H3,16,17,18);1H
InChIKeyDHFMNYMAUQSQEJ-UHFFFAOYSA-N
XLogP2.33
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 52.33
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-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089389
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401
N-(3-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 110977956
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089411
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine
CID 111807126
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965529
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111001379

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (CID 111089372) is 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is CC(C)CCN/C(N)=N/CC(=O)Nc1cccc(F)c1.I.
What is the InChIKey of 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The InChIKey is DHFMNYMAUQSQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O.HI/c1-10(2)6-7-17-14(16)18-9-13(20)19-12-5-3-4-11(15)8-12;/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)(H3,16,17,18);1H.
What are the key properties of 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide has a molecular weight of 408.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).