N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide

C21H16BrClN2O3 — CID 135833062

IUPACN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrClN2O3/c22-17-11-14(9-10-19(17)26)12-24-25-21(27)16-6-2-4-8-20(16)28-13-15-5-1-3-7-18(15)23/h1-12,26H,13H2,(H,25,27)/b24-12+
InChIKeyIMRIOQGZZGCIJY-WYMPLXKRSA-N
MW459.73 g/mol
LogP5.15
Rot. Bonds6

About N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 135833062) has the molecular formula C21H16BrClN2O3 and a molecular weight of 459.73 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
PubChem CID135833062
Molecular FormulaC21H16BrClN2O3
Molecular Weight459.73 g/mol
Exact Mass458.00
IUPAC NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H16BrClN2O3/c22-17-11-14(9-10-19(17)26)12-24-25-21(27)16-6-2-4-8-20(16)28-13-15-5-1-3-7-18(15)23/h1-12,26H,13H2,(H,25,27)/b24-12+
InChIKeyIMRIOQGZZGCIJY-WYMPLXKRSA-N
XLogP5.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126371203
N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657387
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657377
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 19657462
2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
2-[(2-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 2574555
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide (CID 135833062) is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide is O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is IMRIOQGZZGCIJY-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H16BrClN2O3/c22-17-11-14(9-10-19(17)26)12-24-25-21(27)16-6-2-4-8-20(16)28-13-15-5-1-3-7-18(15)23/h1-12,26H,13H2,(H,25,27)/b24-12+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 459.73 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 135833062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).