2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide

C15H11BrCl2N2O3 — CID 135699251

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H11BrCl2N2O3/c16-12-6-11(18)2-4-14(12)23-8-15(22)20-19-7-9-5-10(17)1-3-13(9)21/h1-7,21H,8H2,(H,20,22)/b19-7+
InChIKeyRTAOQKPKRPQAJE-FBCYGCLPSA-N
MW418.07 g/mol
LogP3.99
Rot. Bonds5

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

2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135699251) has the molecular formula C15H11BrCl2N2O3 and a molecular weight of 418.07 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135699251
Molecular FormulaC15H11BrCl2N2O3
Molecular Weight418.07 g/mol
Exact Mass415.93
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H11BrCl2N2O3/c16-12-6-11(18)2-4-14(12)23-8-15(22)20-19-7-9-5-10(17)1-3-13(9)21/h1-7,21H,8H2,(H,20,22)/b19-7+
InChIKeyRTAOQKPKRPQAJE-FBCYGCLPSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.07
LogP ≤ 53.99
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-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 135444081
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
CID 6091566
[4-bromo-2-[[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3931534
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 135699251) is 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RTAOQKPKRPQAJE-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O3/c16-12-6-11(18)2-4-14(12)23-8-15(22)20-19-7-9-5-10(17)1-3-13(9)21/h1-7,21H,8H2,(H,20,22)/b19-7+.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 418.07 g/mol, XLogP of 3.99, 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)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135699251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).