N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

C15H13BrN2O3 — CID 135403152

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-5-2-10(3-6-13)15(20)18-17-9-11-8-12(16)4-7-14(11)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyTZGODVDLHYAZGQ-RQZCQDPDSA-N
MW349.18 g/mol
LogP2.93
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 135403152) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID135403152
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-5-2-10(3-6-13)15(20)18-17-9-11-8-12(16)4-7-14(11)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyTZGODVDLHYAZGQ-RQZCQDPDSA-N
XLogP2.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 135403152) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is TZGODVDLHYAZGQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-13-5-2-10(3-6-13)15(20)18-17-9-11-8-12(16)4-7-14(11)19/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 349.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).