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

C17H15BrCl2N2O3 — CID 4628191

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c(Br)c1
InChIInChI=1S/C17H15BrCl2N2O3/c1-2-10-3-4-15(13(18)5-10)25-9-16(23)22-21-8-11-6-12(19)7-14(20)17(11)24/h3-8,24H,2,9H2,1H3,(H,22,23)
InChIKeyVBXKYXZBECRVHA-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.55
Rot. Bonds6

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

2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 4628191) has the molecular formula C17H15BrCl2N2O3 and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID4628191
Molecular FormulaC17H15BrCl2N2O3
Molecular Weight446.13 g/mol
Exact Mass443.96
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c(Br)c1
InChIInChI=1S/C17H15BrCl2N2O3/c1-2-10-3-4-15(13(18)5-10)25-9-16(23)22-21-8-11-6-12(19)7-14(20)17(11)24/h3-8,24H,2,9H2,1H3,(H,22,23)
InChIKeyVBXKYXZBECRVHA-UHFFFAOYSA-N
XLogP4.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.55
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-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135822484
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 4628191) is 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is CCc1ccc(OCC(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is VBXKYXZBECRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O3/c1-2-10-3-4-15(13(18)5-10)25-9-16(23)22-21-8-11-6-12(19)7-14(20)17(11)24/h3-8,24H,2,9H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 446.13 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4628191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).