N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

C15H10Cl4N2O3 — CID 135559947

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N2O3/c16-9-1-2-13(11(18)4-9)24-7-14(22)21-20-6-8-3-10(17)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+
InChIKeyYWNFYAVNCCXTSH-CGOBSMCZSA-N
MW408.07 g/mol
LogP4.53
Rot. Bonds5

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 135559947) has the molecular formula C15H10Cl4N2O3 and a molecular weight of 408.07 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID135559947
Molecular FormulaC15H10Cl4N2O3
Molecular Weight408.07 g/mol
Exact Mass405.94
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl4N2O3/c16-9-1-2-13(11(18)4-9)24-7-14(22)21-20-6-8-3-10(17)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+
InChIKeyYWNFYAVNCCXTSH-CGOBSMCZSA-N
XLogP4.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 136909116
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 135559947) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is YWNFYAVNCCXTSH-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H10Cl4N2O3/c16-9-1-2-13(11(18)4-9)24-7-14(22)21-20-6-8-3-10(17)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 408.07 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 135559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).