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

C16H14Br2N2O3 — CID 110505804

IUPACN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OC
InChIInChI=1S/C16H14Br2N2O3/c1-22-14-6-4-3-5-12(14)16(21)20-19-9-10-7-11(17)8-13(18)15(10)23-2/h3-9H,1-2H3,(H,20,21)/b19-9+
InChIKeyJXEUCBSPWHKYGC-DJKKODMXSA-N
MW442.11 g/mol
LogP3.99
Rot. Bonds5

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

N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 110505804) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID110505804
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC NameN-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OC
InChIInChI=1S/C16H14Br2N2O3/c1-22-14-6-4-3-5-12(14)16(21)20-19-9-10-7-11(17)8-13(18)15(10)23-2/h3-9H,1-2H3,(H,20,21)/b19-9+
InChIKeyJXEUCBSPWHKYGC-DJKKODMXSA-N
XLogP3.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
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

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
CID 51061307
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126323011
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523471

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide (CID 110505804) is N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1OC.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is JXEUCBSPWHKYGC-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-22-14-6-4-3-5-12(14)16(21)20-19-9-10-7-11(17)8-13(18)15(10)23-2/h3-9H,1-2H3,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 442.11 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 110505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).