2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

C15H24FIN4O — CID 110965529

IUPAC2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)(C)C.I
InChIInChI=1S/C15H23FN4O.HI/c1-5-17-14(20-15(2,3)4)18-10-13(21)19-12-8-6-7-11(16)9-12;/h6-9H,5,10H2,1-4H3,(H,19,21)(H2,17,18,20);1H
InChIKeyRDYKXBGGBHUVRR-UHFFFAOYSA-N
MW422.29 g/mol
LogP2.74
Rot. Bonds4

About 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide

2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (PubChem CID 110965529) has the molecular formula C15H24FIN4O and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
PubChem CID110965529
Molecular FormulaC15H24FIN4O
Molecular Weight422.29 g/mol
Exact Mass422.10
IUPAC Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)(C)C.I
InChIInChI=1S/C15H23FN4O.HI/c1-5-17-14(20-15(2,3)4)18-10-13(21)19-12-8-6-7-11(16)9-12;/h6-9H,5,10H2,1-4H3,(H,19,21)(H2,17,18,20);1H
InChIKeyRDYKXBGGBHUVRR-UHFFFAOYSA-N
XLogP2.74
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 52.74
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-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110965772
2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089389
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111001379
2-[[N-ethyl-N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364702
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111247566
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111693569
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965527
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111692076
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
2-[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111147672
2-[[[(3-ethoxy-4-methylpentyl)amino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111718868

Frequently Asked Questions

What is the IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide (CID 110965529) is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)(C)C.I.
What is the InChIKey of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
The InChIKey is RDYKXBGGBHUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O.HI/c1-5-17-14(20-15(2,3)4)18-10-13(21)19-12-8-6-7-11(16)9-12;/h6-9H,5,10H2,1-4H3,(H,19,21)(H2,17,18,20);1H.
What are the key properties of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide?
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide has a molecular weight of 422.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 110965529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).