2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

C20H18BrClN2O2 — CID 2847577

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C20H18BrClN2O2/c1-15(7-5-6-10-16-8-3-2-4-9-16)23-24-20(25)14-26-19-12-11-17(22)13-18(19)21/h2-13H,14H2,1H3,(H,24,25)
InChIKeyWAWBEPXRTJSVCC-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.24
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (PubChem CID 2847577) has the molecular formula C20H18BrClN2O2 and a molecular weight of 433.73 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
PubChem CID2847577
Molecular FormulaC20H18BrClN2O2
Molecular Weight433.73 g/mol
Exact Mass432.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C20H18BrClN2O2/c1-15(7-5-6-10-16-8-3-2-4-9-16)23-24-20(25)14-26-19-12-11-17(22)13-18(19)21/h2-13H,14H2,1H3,(H,24,25)
InChIKeyWAWBEPXRTJSVCC-UHFFFAOYSA-N
XLogP5.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.24
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2835475
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]-N-naphthalen-2-ylbutanamide
CID 5067981
2-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (CID 2847577) is 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is CC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The InChIKey is WAWBEPXRTJSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2/c1-15(7-5-6-10-16-8-3-2-4-9-16)23-24-20(25)14-26-19-12-11-17(22)13-18(19)21/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide has a molecular weight of 433.73 g/mol, XLogP of 5.24, 7 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-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is sourced from PubChem (CID 2847577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).