N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide

C16H15BrN2O4 — CID 135558504

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1OC
InChIInChI=1S/C16H15BrN2O4/c1-22-14-6-3-10(8-15(14)23-2)16(21)19-18-9-11-7-12(17)4-5-13(11)20/h3-9,20H,1-2H3,(H,19,21)/b18-9+
InChIKeyJNJBWBVLOVGJNN-GIJQJNRQSA-N
MW379.21 g/mol
LogP2.94
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 135558504) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID135558504
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1OC
InChIInChI=1S/C16H15BrN2O4/c1-22-14-6-3-10(8-15(14)23-2)16(21)19-18-9-11-7-12(17)4-5-13(11)20/h3-9,20H,1-2H3,(H,19,21)/b18-9+
InChIKeyJNJBWBVLOVGJNN-GIJQJNRQSA-N
XLogP2.94
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 135558504) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1OC.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is JNJBWBVLOVGJNN-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-22-14-6-3-10(8-15(14)23-2)16(21)19-18-9-11-7-12(17)4-5-13(11)20/h3-9,20H,1-2H3,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 379.21 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 135558504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).