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

C15H10BrCl3N2O3 — CID 135678479

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10BrCl3N2O3/c16-11-4-9(17)1-2-13(11)24-7-14(22)21-20-6-8-3-10(18)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+
InChIKeyHSIZJWSZDNWERU-CGOBSMCZSA-N
MW452.52 g/mol
LogP4.64
Rot. Bonds5

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

2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135678479) has the molecular formula C15H10BrCl3N2O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135678479
Molecular FormulaC15H10BrCl3N2O3
Molecular Weight452.52 g/mol
Exact Mass449.89
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10BrCl3N2O3/c16-11-4-9(17)1-2-13(11)24-7-14(22)21-20-6-8-3-10(18)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+
InChIKeyHSIZJWSZDNWERU-CGOBSMCZSA-N
XLogP4.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.64
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

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 136909116
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
CID 6091566
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135822484
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
CID 4152821

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 135678479) is 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is HSIZJWSZDNWERU-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H10BrCl3N2O3/c16-11-4-9(17)1-2-13(11)24-7-14(22)21-20-6-8-3-10(18)5-12(19)15(8)23/h1-6,23H,7H2,(H,21,22)/b20-6+.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 452.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135678479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).