2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

C23H19ClN2O2 — CID 45054541

IUPAC2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O2/c24-20-14-12-19(13-15-20)17-28-22-11-5-4-10-21(22)23(27)26-25-16-6-9-18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b9-6+,25-16+
InChIKeyVSRZAGGHTGOBOH-KCYFPNEXSA-N
MW390.87 g/mol
LogP5.35
Rot. Bonds7

About 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 45054541) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID45054541
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O2/c24-20-14-12-19(13-15-20)17-28-22-11-5-4-10-21(22)23(27)26-25-16-6-9-18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b9-6+,25-16+
InChIKeyVSRZAGGHTGOBOH-KCYFPNEXSA-N
XLogP5.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.35
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

N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 45054541) is 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is O=C(N/N=C/C=C/c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is VSRZAGGHTGOBOH-KCYFPNEXSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-20-14-12-19(13-15-20)17-28-22-11-5-4-10-21(22)23(27)26-25-16-6-9-18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b9-6+,25-16+.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 390.87 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 45054541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).