2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

C15H11Br3N2O3 — CID 135922466

IUPAC2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2Br)c(Br)c(Br)c1O
InChIInChI=1S/C15H11Br3N2O3/c1-23-11-6-8(12(17)13(18)14(11)21)7-19-20-15(22)9-4-2-3-5-10(9)16/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyJPKJKCVNYMNOKD-GXHLCREISA-N
MW506.98 g/mol
LogP4.45
Rot. Bonds4

About 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135922466) has the molecular formula C15H11Br3N2O3 and a molecular weight of 506.98 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID135922466
Molecular FormulaC15H11Br3N2O3
Molecular Weight506.98 g/mol
Exact Mass503.83
IUPAC Name2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2Br)c(Br)c(Br)c1O
InChIInChI=1S/C15H11Br3N2O3/c1-23-11-6-8(12(17)13(18)14(11)21)7-19-20-15(22)9-4-2-3-5-10(9)16/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyJPKJKCVNYMNOKD-GXHLCREISA-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)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

2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
2-bromo-N-[(Z)-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 139343121
3-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136865713
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 2274594
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 1362157
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3295001
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
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 2643124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (CID 135922466) is 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2ccccc2Br)c(Br)c(Br)c1O.
What is the InChIKey of 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is JPKJKCVNYMNOKD-GXHLCREISA-N. The full InChI is InChI=1S/C15H11Br3N2O3/c1-23-11-6-8(12(17)13(18)14(11)21)7-19-20-15(22)9-4-2-3-5-10(9)16/h2-7,21H,1H3,(H,20,22)/b19-7-.
What are the key properties of 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)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 2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135922466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).