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

C15H13ClN2O4 — CID 135559965

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13ClN2O4/c16-11-2-5-13(6-3-11)22-9-15(21)18-17-8-10-1-4-12(19)7-14(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyRISOCGVDUDEAMC-CAOOACKPSA-N
MW320.73 g/mol
LogP2.28
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135559965) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135559965
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H13ClN2O4/c16-11-2-5-13(6-3-11)22-9-15(21)18-17-8-10-1-4-12(19)7-14(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+
InChIKeyRISOCGVDUDEAMC-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135559965) is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RISOCGVDUDEAMC-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-11-2-5-13(6-3-11)22-9-15(21)18-17-8-10-1-4-12(19)7-14(10)20/h1-8,19-20H,9H2,(H,18,21)/b17-8+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(4-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-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135559965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).