2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide

C18H18BrClN2O2 — CID 4982201

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCC(C)C(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C18H18BrClN2O2/c1-12(2)18(13-6-4-3-5-7-13)22-21-17(23)11-24-16-9-8-14(19)10-15(16)20/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyFFGHDUQDTPVNEB-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.66
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide (PubChem CID 4982201) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
PubChem CID4982201
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCC(C)C(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C18H18BrClN2O2/c1-12(2)18(13-6-4-3-5-7-13)22-21-17(23)11-24-16-9-8-14(19)10-15(16)20/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyFFGHDUQDTPVNEB-UHFFFAOYSA-N
XLogP4.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.66
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-(1-phenylethylideneamino)acetamide
CID 4632189
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
2-(2,3-dimethylphenoxy)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17343902
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N-[(E)-(3-methyl-1-phenylbutylidene)amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6048682
2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923053
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide (CID 4982201) is 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide is CC(C)C(=NNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The InChIKey is FFGHDUQDTPVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c1-12(2)18(13-6-4-3-5-7-13)22-21-17(23)11-24-16-9-8-14(19)10-15(16)20/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide has a molecular weight of 409.71 g/mol, XLogP of 4.66, 6 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-[(2-methyl-1-phenylpropylidene)amino]acetamide is sourced from PubChem (CID 4982201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).