5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide

C19H14Br2N2O3 — CID 126148387

IUPAC5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
SMILESCc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1Br
InChIInChI=1S/C19H14Br2N2O3/c1-11-2-3-12(8-16(11)21)18-7-5-14(26-18)10-22-23-19(25)15-9-13(20)4-6-17(15)24/h2-10,24H,1H3,(H,23,25)/b22-10-
InChIKeyBESYQRQTNWJMSN-YVNNLAQVSA-N
MW478.14 g/mol
LogP5.25
Rot. Bonds4

About 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 126148387) has the molecular formula C19H14Br2N2O3 and a molecular weight of 478.14 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID126148387
Molecular FormulaC19H14Br2N2O3
Molecular Weight478.14 g/mol
Exact Mass475.94
IUPAC Name5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
SMILESCc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1Br
InChIInChI=1S/C19H14Br2N2O3/c1-11-2-3-12(8-16(11)21)18-7-5-14(26-18)10-22-23-19(25)15-9-13(20)4-6-17(15)24/h2-10,24H,1H3,(H,23,25)/b22-10-
InChIKeyBESYQRQTNWJMSN-YVNNLAQVSA-N
XLogP5.25
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.14
LogP ≤ 55.25
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-hydroxy-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 96869284
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
methyl 3-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 98089013
N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126373501
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518877
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379953
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379998
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126398281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide (CID 126148387) is 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1Br.
What is the InChIKey of 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is BESYQRQTNWJMSN-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H14Br2N2O3/c1-11-2-3-12(8-16(11)21)18-7-5-14(26-18)10-22-23-19(25)15-9-13(20)4-6-17(15)24/h2-10,24H,1H3,(H,23,25)/b22-10-.
What are the key properties of 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 478.14 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 126148387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).