2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide

C21H14Cl2N2O3 — CID 20725290

IUPAC2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)/C(=N/c1cc(Cl)c(O)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O3/c22-16-11-15(12-17(23)20(16)27)24-18(19(26)13-7-3-1-4-8-13)21(28)25-14-9-5-2-6-10-14/h1-12,27H,(H,25,28)/b24-18+
InChIKeyUTZDHBMQTVMOOY-HKOYGPOVSA-N
MW413.26 g/mol
LogP5.29
Rot. Bonds5

About 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide

2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide (PubChem CID 20725290) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide
PubChem CID20725290
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC Name2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)/C(=N/c1cc(Cl)c(O)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H14Cl2N2O3/c22-16-11-15(12-17(23)20(16)27)24-18(19(26)13-7-3-1-4-8-13)21(28)25-14-9-5-2-6-10-14/h1-12,27H,(H,25,28)/b24-18+
InChIKeyUTZDHBMQTVMOOY-HKOYGPOVSA-N
XLogP5.29
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
potassium 2-anilino-2-oxoacetate
CID 23690423
1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
CID 166984072
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N'-[4-chloro-6-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]anilino]pyrimidin-5-yl]-N-phenyloxamide
CID 5210742
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
CID 6223201
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide?
The IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide (CID 20725290) is 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide.
What is the SMILES notation for 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide?
The canonical SMILES for 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide is O=C(Nc1ccccc1)/C(=N/c1cc(Cl)c(O)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide?
The InChIKey is UTZDHBMQTVMOOY-HKOYGPOVSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c22-16-11-15(12-17(23)20(16)27)24-18(19(26)13-7-3-1-4-8-13)21(28)25-14-9-5-2-6-10-14/h1-12,27H,(H,25,28)/b24-18+.
What are the key properties of 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide?
2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide has a molecular weight of 413.26 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydroxyphenyl)imino-3-oxo-N,3-diphenylpropanamide is sourced from PubChem (CID 20725290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).