N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide

C17H17BrN2O4 — CID 6893059

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H17BrN2O4/c1-22-14-7-5-13(18)8-12(14)10-19-20-17(21)11-4-6-15(23-2)16(9-11)24-3/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKeyHFOONKHQMSUELL-VXLYETTFSA-N
MW393.24 g/mol
LogP3.24
Rot. Bonds6

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 6893059) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID6893059
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H17BrN2O4/c1-22-14-7-5-13(18)8-12(14)10-19-20-17(21)11-4-6-15(23-2)16(9-11)24-3/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKeyHFOONKHQMSUELL-VXLYETTFSA-N
XLogP3.24
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 6893059) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is HFOONKHQMSUELL-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-22-14-7-5-13(18)8-12(14)10-19-20-17(21)11-4-6-15(23-2)16(9-11)24-3/h4-10H,1-3H3,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 393.24 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6893059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).