2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

C15H13ClN2O4 — CID 135560549

IUPAC2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13ClN2O4/c16-12-3-1-2-4-14(12)22-9-15(21)18-17-8-10-5-6-11(19)7-13(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyNRBHSBHQBNMGSU-CAOOACKPSA-N
MW320.73 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135560549) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135560549
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13ClN2O4/c16-12-3-1-2-4-14(12)22-9-15(21)18-17-8-10-5-6-11(19)7-13(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyNRBHSBHQBNMGSU-CAOOACKPSA-N
XLogP2.28
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.28
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

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9722010
2-(2,4-Dichlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135641762
[2-({[(2,4-Dichlorophenoxy)acetyl]hydrazono}methyl)phenoxy]acetic acid
CID 5333629
N'-Benzylidene-2-(2,4-dichlorophenoxy)acetohydrazide
CID 6870666
N'-Benzylidene-2-(2-chlorophenoxy)acetohydrazide
CID 9558034
2-(4-Chlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135400477
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-2-(4-chlorophenoxy)acetohydrazide
CID 135419888
2-(2-Chlorophenoxy)-N'-(4-fluorobenzylidene)acetohydrazide
CID 9558026
2-(2,4-Dichlorophenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CID 9558485
2-(2,4-Dichlorophenoxy)-N'-(2,4-dihydroxybenzylidene)acetohydrazide
CID 135559944
2-(4-Chlorophenoxy)-N'-(4-hydroxybenzylidene)propanohydrazide
CID 135722703
2-(4-Chlorophenoxy)-N'-(2,4-dihydroxybenzylidene)propanohydrazide
CID 135717520

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135560549) is 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccccc1Cl)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NRBHSBHQBNMGSU-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-12-3-1-2-4-14(12)22-9-15(21)18-17-8-10-5-6-11(19)7-13(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 320.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135560549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).