4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

C15H11Br3N2O3 — CID 3300390

IUPAC4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1
InChIInChI=1S/C15H11Br3N2O3/c1-23-9-4-2-8(3-5-9)15(22)20-19-7-10-11(16)6-12(17)14(21)13(10)18/h2-7,21H,1H3,(H,20,22)
InChIKeyONTQORCGQJXGJA-UHFFFAOYSA-N
MW506.98 g/mol
LogP4.45
Rot. Bonds4

About 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3300390) has the molecular formula C15H11Br3N2O3 and a molecular weight of 506.98 g/mol. Its IUPAC name is 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3300390
Molecular FormulaC15H11Br3N2O3
Molecular Weight506.98 g/mol
Exact Mass503.83
IUPAC Name4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1
InChIInChI=1S/C15H11Br3N2O3/c1-23-9-4-2-8(3-5-9)15(22)20-19-7-10-11(16)6-12(17)14(21)13(10)18/h2-7,21H,1H3,(H,20,22)
InChIKeyONTQORCGQJXGJA-UHFFFAOYSA-N
XLogP4.45
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.98
LogP ≤ 54.45
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'}

Analyze 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 5333871
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
3,5-dibromo-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5331706
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide (CID 3300390) is 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1.
What is the InChIKey of 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ONTQORCGQJXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3N2O3/c1-23-9-4-2-8(3-5-9)15(22)20-19-7-10-11(16)6-12(17)14(21)13(10)18/h2-7,21H,1H3,(H,20,22).
What are the key properties of 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 506.98 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3300390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).