2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide

C16H14BrClN2O2 — CID 4632189

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14BrClN2O2/c1-11(12-5-3-2-4-6-12)19-20-16(21)10-22-15-8-7-13(17)9-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyXEVDNZLPIKLBRE-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide (PubChem CID 4632189) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
PubChem CID4632189
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14BrClN2O2/c1-11(12-5-3-2-4-6-12)19-20-16(21)10-22-15-8-7-13(17)9-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyXEVDNZLPIKLBRE-UHFFFAOYSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.02
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-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide (CID 4632189) is 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide?
The InChIKey is XEVDNZLPIKLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-11(12-5-3-2-4-6-12)19-20-16(21)10-22-15-8-7-13(17)9-14(15)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide has a molecular weight of 381.66 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide is sourced from PubChem (CID 4632189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).