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

C16H14Br2N2O3 — CID 137076884

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1C
InChIInChI=1S/C16H14Br2N2O3/c1-9-12(4-3-5-14(9)23-2)16(22)20-19-8-10-6-11(17)7-13(18)15(10)21/h3-8,21H,1-2H3,(H,20,22)
InChIKeyGSYGOSJMFVRBHR-UHFFFAOYSA-N
MW442.11 g/mol
LogP4.00
Rot. Bonds4

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

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide (PubChem CID 137076884) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
PubChem CID137076884
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1C
InChIInChI=1S/C16H14Br2N2O3/c1-9-12(4-3-5-14(9)23-2)16(22)20-19-8-10-6-11(17)7-13(18)15(10)21/h3-8,21H,1-2H3,(H,20,22)
InChIKeyGSYGOSJMFVRBHR-UHFFFAOYSA-N
XLogP4.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 54.00
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-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135606860
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-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
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]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide (CID 137076884) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1C.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide?
The InChIKey is GSYGOSJMFVRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-9-12(4-3-5-14(9)23-2)16(22)20-19-8-10-6-11(17)7-13(18)15(10)21/h3-8,21H,1-2H3,(H,20,22).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide?
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide has a molecular weight of 442.11 g/mol, XLogP of 4.00, 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]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 137076884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).