3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H15BrCl2N2O2 — CID 94847989

IUPAC3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C21H15BrCl2N2O2/c22-17-3-1-2-15(10-17)21(27)26-25-12-14-4-8-19(9-5-14)28-13-16-6-7-18(23)11-20(16)24/h1-12H,13H2,(H,26,27)/b25-12-
InChIKeyMBSOTJVIKJRQHQ-ROTLSHHCSA-N
MW478.17 g/mol
LogP6.10
Rot. Bonds6

About 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 94847989) has the molecular formula C21H15BrCl2N2O2 and a molecular weight of 478.17 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID94847989
Molecular FormulaC21H15BrCl2N2O2
Molecular Weight478.17 g/mol
Exact Mass475.97
IUPAC Name3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C21H15BrCl2N2O2/c22-17-3-1-2-15(10-17)21(27)26-25-12-14-4-8-19(9-5-14)28-13-16-6-7-18(23)11-20(16)24/h1-12H,13H2,(H,26,27)/b25-12-
InChIKeyMBSOTJVIKJRQHQ-ROTLSHHCSA-N
XLogP6.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.17
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]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

3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 51061742
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 51061822
2-[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5154612
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
3-bromo-N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6283954
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
CID 94847954
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 94847989) is 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is MBSOTJVIKJRQHQ-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H15BrCl2N2O2/c22-17-3-1-2-15(10-17)21(27)26-25-12-14-4-8-19(9-5-14)28-13-16-6-7-18(23)11-20(16)24/h1-12H,13H2,(H,26,27)/b25-12-.
What are the key properties of 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 478.17 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 94847989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).