2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide

C20H26FIN4O2 — CID 111678331

IUPAC2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Oc1ccc(F)cc1.I
InChIInChI=1S/C20H25FN4O2.HI/c1-3-22-20(24-14-19(26)25-17-7-5-4-6-8-17)23-13-15(2)27-18-11-9-16(21)10-12-18;/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)(H2,22,23,24);1H
InChIKeyVPEFTTVOFITHQN-UHFFFAOYSA-N
MW500.36 g/mol
LogP3.40
Rot. Bonds8

About 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide

2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide (PubChem CID 111678331) has the molecular formula C20H26FIN4O2 and a molecular weight of 500.36 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
PubChem CID111678331
Molecular FormulaC20H26FIN4O2
Molecular Weight500.36 g/mol
Exact Mass500.11
IUPAC Name2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Oc1ccc(F)cc1.I
InChIInChI=1S/C20H25FN4O2.HI/c1-3-22-20(24-14-19(26)25-17-7-5-4-6-8-17)23-13-15(2)27-18-11-9-16(21)10-12-18;/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)(H2,22,23,24);1H
InChIKeyVPEFTTVOFITHQN-UHFFFAOYSA-N
XLogP3.40
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.36
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111684486
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111178675
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
2-[[ethylamino-[(2-methoxy-3,3-dimethylbutyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111711000
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111715447
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111681375

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide (CID 111678331) is 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Oc1ccc(F)cc1.I.
What is the InChIKey of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The InChIKey is VPEFTTVOFITHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2.HI/c1-3-22-20(24-14-19(26)25-17-7-5-4-6-8-17)23-13-15(2)27-18-11-9-16(21)10-12-18;/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)(H2,22,23,24);1H.
What are the key properties of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide?
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide has a molecular weight of 500.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide is sourced from PubChem (CID 111678331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).