N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C23H21BrN2O3 — CID 19657755

IUPACN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O3/c1-2-28-22-13-12-18(14-20(22)24)15-25-26-23(27)19-10-6-7-11-21(19)29-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,27)/b25-15+
InChIKeyMDDMSTLCGXSSLJ-MFKUBSTISA-N
MW453.34 g/mol
LogP5.19
Rot. Bonds8

About N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657755) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657755
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O3/c1-2-28-22-13-12-18(14-20(22)24)15-25-26-23(27)19-10-6-7-11-21(19)29-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,27)/b25-15+
InChIKeyMDDMSTLCGXSSLJ-MFKUBSTISA-N
XLogP5.19
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
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)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide 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-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246135
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
CID 86771777
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126308626
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 19657560
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4644510
1-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657742
N-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126331879
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 19657755) is N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is CCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is MDDMSTLCGXSSLJ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-2-28-22-13-12-18(14-20(22)24)15-25-26-23(27)19-10-6-7-11-21(19)29-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,26,27)/b25-15+.
What are the key properties of N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 453.34 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).