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

C15H12Cl2N2O4 — CID 135559944

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H12Cl2N2O4/c16-10-2-4-14(12(17)5-10)23-8-15(22)19-18-7-9-1-3-11(20)6-13(9)21/h1-7,20-21H,8H2,(H,19,22)/b18-7+
InChIKeyNEBFAIKLRJNPBQ-CNHKJKLMSA-N
MW355.18 g/mol
LogP2.93
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135559944) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135559944
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H12Cl2N2O4/c16-10-2-4-14(12(17)5-10)23-8-15(22)19-18-7-9-1-3-11(20)6-13(9)21/h1-7,20-21H,8H2,(H,19,22)/b18-7+
InChIKeyNEBFAIKLRJNPBQ-CNHKJKLMSA-N
XLogP2.93
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.93
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-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135559944) is 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NEBFAIKLRJNPBQ-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c16-10-2-4-14(12(17)5-10)23-8-15(22)19-18-7-9-1-3-11(20)6-13(9)21/h1-7,20-21H,8H2,(H,19,22)/b18-7+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 355.18 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135559944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).