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

C19H18Cl2N2O2 — CID 46886689

IUPACN-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-13(3-4-15-5-7-16(20)8-6-15)23-25-14(2)19(24)22-18-11-9-17(21)10-12-18/h3-12,14H,1-2H3,(H,22,24)/b4-3+,23-13+
InChIKeyQEYRDLKSLWYXJN-OEFJELFNSA-N
MW377.27 g/mol
LogP5.43
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide (PubChem CID 46886689) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
PubChem CID46886689
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC NameN-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-13(3-4-15-5-7-16(20)8-6-15)23-25-14(2)19(24)22-18-11-9-17(21)10-12-18/h3-12,14H,1-2H3,(H,22,24)/b4-3+,23-13+
InChIKeyQEYRDLKSLWYXJN-OEFJELFNSA-N
XLogP5.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.43
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
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
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-phenylpropanamide
CID 46886688
(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide
CID 56968410
(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-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 5634884
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 6892602
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide
CID 7613293

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide (CID 46886689) is N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide is CC(/C=C/c1ccc(Cl)cc1)=N\OC(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide?
The InChIKey is QEYRDLKSLWYXJN-OEFJELFNSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-13(3-4-15-5-7-16(20)8-6-15)23-25-14(2)19(24)22-18-11-9-17(21)10-12-18/h3-12,14H,1-2H3,(H,22,24)/b4-3+,23-13+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide?
N-(4-chlorophenyl)-2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide has a molecular weight of 377.27 g/mol, XLogP of 5.43, 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-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxypropanamide is sourced from PubChem (CID 46886689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).