2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide

C19H18Br2N2O2 — CID 129440342

IUPAC2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C19H18Br2N2O2/c1-13-10-16(20)19(17(21)11-13)25-12-18(24)23-22-14(2)8-9-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)/b9-8+,22-14?
InChIKeyRZFWFOOAYFPLFD-MLHIXWRISA-N
MW466.17 g/mol
LogP5.10
Rot. Bonds6

About 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide

2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide (PubChem CID 129440342) has the molecular formula C19H18Br2N2O2 and a molecular weight of 466.17 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
PubChem CID129440342
Molecular FormulaC19H18Br2N2O2
Molecular Weight466.17 g/mol
Exact Mass463.97
IUPAC Name2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)COc1c(Br)cc(C)cc1Br
InChIInChI=1S/C19H18Br2N2O2/c1-13-10-16(20)19(17(21)11-13)25-12-18(24)23-22-14(2)8-9-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)/b9-8+,22-14?
InChIKeyRZFWFOOAYFPLFD-MLHIXWRISA-N
XLogP5.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.17
LogP ≤ 55.10
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-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4606921
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6504950
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide (CID 129440342) is 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide is CC(/C=C/c1ccccc1)=NNC(=O)COc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The InChIKey is RZFWFOOAYFPLFD-MLHIXWRISA-N. The full InChI is InChI=1S/C19H18Br2N2O2/c1-13-10-16(20)19(17(21)11-13)25-12-18(24)23-22-14(2)8-9-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)/b9-8+,22-14?.
What are the key properties of 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide has a molecular weight of 466.17 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide is sourced from PubChem (CID 129440342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).