2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H16BrClN2O2 — CID 29146902

IUPAC2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C21H16BrClN2O2/c22-18-10-4-3-9-17(18)21(26)25-24-13-15-7-2-6-12-20(15)27-14-16-8-1-5-11-19(16)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyCXOJQKZKQZDPMP-CFRMEGHHSA-N
MW443.73 g/mol
LogP5.45
Rot. Bonds6

About 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 29146902) has the molecular formula C21H16BrClN2O2 and a molecular weight of 443.73 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID29146902
Molecular FormulaC21H16BrClN2O2
Molecular Weight443.73 g/mol
Exact Mass442.01
IUPAC Name2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C21H16BrClN2O2/c22-18-10-4-3-9-17(18)21(26)25-24-13-15-7-2-6-12-20(15)27-14-16-8-1-5-11-19(16)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyCXOJQKZKQZDPMP-CFRMEGHHSA-N
XLogP5.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.73
LogP ≤ 55.45
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-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-bromo-N-[(E)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245248
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323155

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 29146902) is 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is CXOJQKZKQZDPMP-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16BrClN2O2/c22-18-10-4-3-9-17(18)21(26)25-24-13-15-7-2-6-12-20(15)27-14-16-8-1-5-11-19(16)23/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 443.73 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 29146902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).