N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

C15H12Br2N2O3 — CID 137061149

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21)
InChIKeyCEWSGIZPPBYRGV-UHFFFAOYSA-N
MW428.08 g/mol
LogP3.69
Rot. Bonds4

About N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 137061149) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID137061149
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21)
InChIKeyCEWSGIZPPBYRGV-UHFFFAOYSA-N
XLogP3.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (CID 137061149) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is CEWSGIZPPBYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 428.08 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 137061149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).