N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide

C18H17ClN2O2 — CID 46192032

IUPACN-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
SMILESCC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-14(7-8-15-5-3-2-4-6-15)21-23-13-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13H2,1H3,(H,20,22)/b8-7+,21-14+
InChIKeyCLCZNMUGCUZQSR-DBVLCOFHSA-N
MW328.80 g/mol
LogP4.38
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide

N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide (PubChem CID 46192032) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
PubChem CID46192032
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
SMILESCC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-14(7-8-15-5-3-2-4-6-15)21-23-13-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13H2,1H3,(H,20,22)/b8-7+,21-14+
InChIKeyCLCZNMUGCUZQSR-DBVLCOFHSA-N
XLogP4.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.38
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-[(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
2-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]oxy-N-ethyl-N-phenylacetamide
CID 9660941
N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
CID 46192031
N-[2-(4-chloroanilino)-2-oxoethoxy]benzamide
CID 46224784
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
CID 46886688
N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
CID 46886689
(Z)-N-(4-chlorophenyl)-2-methoxy-3-phenylprop-2-enamide
CID 56971501
(5Z)-8-chloro-3-methyl-6-phenyl-1H-4,1,5-benzoxadiazocin-2-one
CID 136468125
2-{[(1-methylethylidene)amino]oxy}-N-(2-methylphenyl)acetamide
CID 2849070
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 9569247

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide (CID 46192032) is N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide is CC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The InChIKey is CLCZNMUGCUZQSR-DBVLCOFHSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-14(7-8-15-5-3-2-4-6-15)21-23-13-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13H2,1H3,(H,20,22)/b8-7+,21-14+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide has a molecular weight of 328.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide is sourced from PubChem (CID 46192032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).