N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

C15H13BrN2O3 — CID 44507388

IUPACN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-11-6-7-13(16)10(8-11)9-17-18-15(20)12-4-2-3-5-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyDXJMDOQFQAEGED-RQZCQDPDSA-N
MW349.18 g/mol
LogP2.93
Rot. Bonds4

About N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 44507388) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID44507388
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCOc1ccc(Br)c(/C=N/NC(=O)c2ccccc2O)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-11-6-7-13(16)10(8-11)9-17-18-15(20)12-4-2-3-5-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyDXJMDOQFQAEGED-RQZCQDPDSA-N
XLogP2.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.93
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 N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide 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-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 2643124
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 44507388) is N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is COc1ccc(Br)c(/C=N/NC(=O)c2ccccc2O)c1.
What is the InChIKey of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is DXJMDOQFQAEGED-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-11-6-7-13(16)10(8-11)9-17-18-15(20)12-4-2-3-5-14(12)19/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 349.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 44507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).