2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide

C22H18BrClN2O2 — CID 4553422

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18BrClN2O2/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)25-26-22(27)14-28-21-12-11-19(24)13-20(21)23/h2-13H,14H2,1H3,(H,26,27)
InChIKeyMCFHIWJMBUURGM-UHFFFAOYSA-N
MW457.76 g/mol
LogP5.69
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (PubChem CID 4553422) has the molecular formula C22H18BrClN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
PubChem CID4553422
Molecular FormulaC22H18BrClN2O2
Molecular Weight457.76 g/mol
Exact Mass456.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18BrClN2O2/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)25-26-22(27)14-28-21-12-11-19(24)13-20(21)23/h2-13H,14H2,1H3,(H,26,27)
InChIKeyMCFHIWJMBUURGM-UHFFFAOYSA-N
XLogP5.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (CID 4553422) is 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The InChIKey is MCFHIWJMBUURGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O2/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)25-26-22(27)14-28-21-12-11-19(24)13-20(21)23/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide has a molecular weight of 457.76 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4553422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).