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

C15H13BrN2O3 — CID 5335668

IUPAC5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-12-4-2-3-10(7-12)9-17-18-15(20)13-8-11(16)5-6-14(13)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyJNDZWQVHOUWWQM-RQZCQDPDSA-N
MW349.18 g/mol
LogP2.93
Rot. Bonds4

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

5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5335668) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
PubChem CID5335668
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-12-4-2-3-10(7-12)9-17-18-15(20)13-8-11(16)5-6-14(13)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyJNDZWQVHOUWWQM-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
5-bromo-2-hydroxy-N-[(E)-(3-iodophenyl)methylideneamino]benzamide
CID 58811449
5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 71960112
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(3-bromophenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 2253634
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
methyl 2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 21370780

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (CID 5335668) is 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is JNDZWQVHOUWWQM-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-12-4-2-3-10(7-12)9-17-18-15(20)13-8-11(16)5-6-14(13)19/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide 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 5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5335668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).