2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide

C21H15BrCl2N2O2 — CID 97413810

IUPAC2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H15BrCl2N2O2/c22-16-8-5-14(6-9-16)13-28-20-4-2-1-3-18(20)21(27)26-25-12-15-7-10-17(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12-
InChIKeyYCSOHSRUXUXCRQ-ROTLSHHCSA-N
MW478.17 g/mol
LogP6.10
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide

2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide (PubChem CID 97413810) has the molecular formula C21H15BrCl2N2O2 and a molecular weight of 478.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
PubChem CID97413810
Molecular FormulaC21H15BrCl2N2O2
Molecular Weight478.17 g/mol
Exact Mass475.97
IUPAC Name2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H15BrCl2N2O2/c22-16-8-5-14(6-9-16)13-28-20-4-2-1-3-18(20)21(27)26-25-12-15-7-10-17(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12-
InChIKeyYCSOHSRUXUXCRQ-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'}

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Related Compounds

2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
2-bromo-N-[(E)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245410
[4-bromo-2-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3286821
[4-bromo-2-[[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3848521
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide (CID 97413810) is 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is YCSOHSRUXUXCRQ-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H15BrCl2N2O2/c22-16-8-5-14(6-9-16)13-28-20-4-2-1-3-18(20)21(27)26-25-12-15-7-10-17(23)11-19(15)24/h1-12H,13H2,(H,26,27)/b25-12-.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)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 2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 97413810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).