2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide

C19H19ClN2O2 — CID 46886688

IUPAC2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-14(8-9-16-10-12-17(20)13-11-16)22-24-15(2)19(23)21-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,21,23)/b9-8+,22-14+
InChIKeyNBQLDJOLRQLIEL-LXCYGRFXSA-N
MW342.83 g/mol
LogP4.77
Rot. Bonds6

About 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide

2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide (PubChem CID 46886688) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
PubChem CID46886688
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-14(8-9-16-10-12-17(20)13-11-16)22-24-15(2)19(23)21-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,21,23)/b9-8+,22-14+
InChIKeyNBQLDJOLRQLIEL-LXCYGRFXSA-N
XLogP4.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.77
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-[[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 4842830
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-methyl-N-phenylacetamide
CID 5817672
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 9661023
N-[(2-chlorophenyl)methyl]-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 6904538
N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
CID 46192031
N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
CID 46192032
N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
CID 46886689
(5Z)-8-chloro-3-methyl-6-phenyl-1H-4,1,5-benzoxadiazocin-2-one
CID 136468125
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 9569247
N-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 19491727
2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 2083850
2-[[amino(phenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 2415260

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide?
The IUPAC name of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide (CID 46886688) is 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide.
What is the SMILES notation for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide?
The canonical SMILES for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide is CC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide?
The InChIKey is NBQLDJOLRQLIEL-LXCYGRFXSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-14(8-9-16-10-12-17(20)13-11-16)22-24-15(2)19(23)21-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,21,23)/b9-8+,22-14+.
What are the key properties of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide?
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide has a molecular weight of 342.83 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide is sourced from PubChem (CID 46886688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).