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

C15H13BrN2O2 — CID 135458900

IUPAC4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C15H13BrN2O2/c1-10-3-2-4-12(14(10)19)9-17-18-15(20)11-5-7-13(16)8-6-11/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyXDZPPNDXKTZRDX-MFOYZWKCSA-N
MW333.19 g/mol
LogP3.23
Rot. Bonds3

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

4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide (PubChem CID 135458900) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
PubChem CID135458900
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C15H13BrN2O2/c1-10-3-2-4-12(14(10)19)9-17-18-15(20)11-5-7-13(16)8-6-11/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyXDZPPNDXKTZRDX-MFOYZWKCSA-N
XLogP3.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135550898
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-[[(2-hydroxy-3-methylphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136601679
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide (CID 135458900) is 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1O.
What is the InChIKey of 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide?
The InChIKey is XDZPPNDXKTZRDX-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-3-2-4-12(14(10)19)9-17-18-15(20)11-5-7-13(16)8-6-11/h2-9,19H,1H3,(H,18,20)/b17-9-.
What are the key properties of 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135458900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).