5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C15H13BrN2O4 — CID 136843544

IUPAC5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1O
InChIInChI=1S/C15H13BrN2O4/c1-22-14-6-9(2-4-13(14)20)8-17-18-15(21)11-7-10(16)3-5-12(11)19/h2-8,19-20H,1H3,(H,18,21)/b17-8-
InChIKeyMRSLKOKRSOHTHX-IUXPMGMMSA-N
MW365.18 g/mol
LogP2.63
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 136843544) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID136843544
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1O
InChIInChI=1S/C15H13BrN2O4/c1-22-14-6-9(2-4-13(14)20)8-17-18-15(21)11-7-10(16)3-5-12(11)19/h2-8,19-20H,1H3,(H,18,21)/b17-8-
InChIKeyMRSLKOKRSOHTHX-IUXPMGMMSA-N
XLogP2.63
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-bromo-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 3656361
ethyl 2-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126217235
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6275932
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4177540
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 136843544) is 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is MRSLKOKRSOHTHX-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-22-14-6-9(2-4-13(14)20)8-17-18-15(21)11-7-10(16)3-5-12(11)19/h2-8,19-20H,1H3,(H,18,21)/b17-8-.
What are the key properties of 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 365.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136843544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).