2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide

C18H16Cl2N2O2 — CID 92913426

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C\c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-13(7-8-14-5-3-2-4-6-14)21-22-18(23)12-24-17-10-9-15(19)11-16(17)20/h2-11H,12H2,1H3,(H,22,23)/b8-7-,21-13+
InChIKeyTVMPRZGPOYIWIR-UZQDZSHQSA-N
MW363.24 g/mol
LogP4.58
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide

2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide (PubChem CID 92913426) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
PubChem CID92913426
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C\c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O2/c1-13(7-8-14-5-3-2-4-6-14)21-22-18(23)12-24-17-10-9-15(19)11-16(17)20/h2-11H,12H2,1H3,(H,22,23)/b8-7-,21-13+
InChIKeyTVMPRZGPOYIWIR-UZQDZSHQSA-N
XLogP4.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.58
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-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2835475
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide (CID 92913426) is 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide is CC(/C=C\c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The InChIKey is TVMPRZGPOYIWIR-UZQDZSHQSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-13(7-8-14-5-3-2-4-6-14)21-22-18(23)12-24-17-10-9-15(19)11-16(17)20/h2-11H,12H2,1H3,(H,22,23)/b8-7-,21-13+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide has a molecular weight of 363.24 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide is sourced from PubChem (CID 92913426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).