2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide

C21H16BrN3O4 — CID 71960184

IUPAC2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C21H16BrN3O4/c22-17-5-3-4-16(12-17)14-29-20-7-2-1-6-19(20)21(26)24-23-13-15-8-10-18(11-9-15)25(27)28/h1-13H,14H2,(H,24,26)
InChIKeyOTUYKOKNAHVTIQ-UHFFFAOYSA-N
MW454.28 g/mol
LogP4.70
Rot. Bonds7

About 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide

2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 71960184) has the molecular formula C21H16BrN3O4 and a molecular weight of 454.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
PubChem CID71960184
Molecular FormulaC21H16BrN3O4
Molecular Weight454.28 g/mol
Exact Mass453.03
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C21H16BrN3O4/c22-17-5-3-4-16(12-17)14-29-20-7-2-1-6-19(20)21(26)24-23-13-15-8-10-18(11-9-15)25(27)28/h1-13H,14H2,(H,24,26)
InChIKeyOTUYKOKNAHVTIQ-UHFFFAOYSA-N
XLogP4.70
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)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-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
N-[(E)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657830
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847
2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
CID 6877293
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46498082
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
2-bromo-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146920
N-[(E)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657835
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide (CID 71960184) is 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is OTUYKOKNAHVTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O4/c22-17-5-3-4-16(12-17)14-29-20-7-2-1-6-19(20)21(26)24-23-13-15-8-10-18(11-9-15)25(27)28/h1-13H,14H2,(H,24,26).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide?
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide has a molecular weight of 454.28 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 71960184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).