2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide

C17H17ClN2O4 — CID 917797

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)NN=Cc2ccc(O)cc2O)cc(C)c1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10-5-14(6-11(2)17(10)18)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23)
InChIKeyCHRUHVINBVNMGZ-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 917797) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID917797
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)NN=Cc2ccc(O)cc2O)cc(C)c1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10-5-14(6-11(2)17(10)18)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23)
InChIKeyCHRUHVINBVNMGZ-UHFFFAOYSA-N
XLogP2.90
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 136720872
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
ethyl 4-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 135678556
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1014844
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5433203
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54784560

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 917797) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide is Cc1cc(OCC(=O)NN=Cc2ccc(O)cc2O)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is CHRUHVINBVNMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-5-14(6-11(2)17(10)18)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 917797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).