1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H14BrCl2NO — CID 126221091

IUPAC1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14BrCl2NO/c21-16-7-9-20(25-13-14-6-8-17(22)11-19(14)23)15(10-16)12-24-18-4-2-1-3-5-18/h1-12H,13H2/b24-12+
InChIKeyYIDDYZBUVNZHPO-WYMPLXKRSA-N
MW435.15 g/mol
LogP7.09
Rot. Bonds5

About 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126221091) has the molecular formula C20H14BrCl2NO and a molecular weight of 435.15 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126221091
Molecular FormulaC20H14BrCl2NO
Molecular Weight435.15 g/mol
Exact Mass432.96
IUPAC Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14BrCl2NO/c21-16-7-9-20(25-13-14-6-8-17(22)11-19(14)23)15(10-16)12-24-18-4-2-1-3-5-18/h1-12H,13H2/b24-12+
InChIKeyYIDDYZBUVNZHPO-WYMPLXKRSA-N
XLogP7.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.15
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine 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

1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
4-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 126068473

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126221091) is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine is Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is YIDDYZBUVNZHPO-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14BrCl2NO/c21-16-7-9-20(25-13-14-6-8-17(22)11-19(14)23)15(10-16)12-24-18-4-2-1-3-5-18/h1-12H,13H2/b24-12+.
What are the key properties of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 435.15 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126221091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).