N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

C15H13BrN2O3 — CID 5425946

IUPACN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Br
InChIInChI=1S/C15H13BrN2O3/c1-21-14-7-6-10(8-12(14)16)9-17-18-15(20)11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyUVAFSAUICANJQE-MFOYZWKCSA-N
MW349.18 g/mol
LogP2.93
Rot. Bonds4

About N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 5425946) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID5425946
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Br
InChIInChI=1S/C15H13BrN2O3/c1-21-14-7-6-10(8-12(14)16)9-17-18-15(20)11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyUVAFSAUICANJQE-MFOYZWKCSA-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': '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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 5425946) is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is UVAFSAUICANJQE-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-14-7-6-10(8-12(14)16)9-17-18-15(20)11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide 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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5425946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).