2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

C19H23Cl2IN4O2 — CID 111321929

IUPAC2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)c1ccc(Cl)c(Cl)c1.I
InChIInChI=1S/C19H22Cl2N4O2.HI/c1-3-22-19(24-12(2)13-4-9-16(20)17(21)10-13)23-11-18(27)25-14-5-7-15(26)8-6-14;/h4-10,12,26H,3,11H2,1-2H3,(H,25,27)(H2,22,23,24);1H
InChIKeySBUAJWWEEIKRDL-UHFFFAOYSA-N
MW537.23 g/mol
LogP4.57
Rot. Bonds6

About 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (PubChem CID 111321929) has the molecular formula C19H23Cl2IN4O2 and a molecular weight of 537.23 g/mol. Its IUPAC name is 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
PubChem CID111321929
Molecular FormulaC19H23Cl2IN4O2
Molecular Weight537.23 g/mol
Exact Mass536.02
IUPAC Name2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)c1ccc(Cl)c(Cl)c1.I
InChIInChI=1S/C19H22Cl2N4O2.HI/c1-3-22-19(24-12(2)13-4-9-16(20)17(21)10-13)23-11-18(27)25-14-5-7-15(26)8-6-14;/h4-10,12,26H,3,11H2,1-2H3,(H,25,27)(H2,22,23,24);1H
InChIKeySBUAJWWEEIKRDL-UHFFFAOYSA-N
XLogP4.57
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.23
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111310625
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111001371
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111988628
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
1-[1-(3,4-dichlorophenyl)ethyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111515746
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111372373
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111402612
2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111999308
2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111256866
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111402613

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (CID 111321929) is 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC(C)c1ccc(Cl)c(Cl)c1.I.
What is the InChIKey of 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The InChIKey is SBUAJWWEEIKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2.HI/c1-3-22-19(24-12(2)13-4-9-16(20)17(21)10-13)23-11-18(27)25-14-5-7-15(26)8-6-14;/h4-10,12,26H,3,11H2,1-2H3,(H,25,27)(H2,22,23,24);1H.
What are the key properties of 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide has a molecular weight of 537.23 g/mol, XLogP of 4.57, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(3,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).