1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H15BrClNO — CID 126210174

IUPAC1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1
InChIInChI=1S/C20H15BrClNO/c21-19-12-15(13-23-18-7-2-1-3-8-18)9-10-20(19)24-14-16-5-4-6-17(22)11-16/h1-13H,14H2/b23-13+
InChIKeyZZOWSNBGYSNOFV-YDZHTSKRSA-N
MW400.70 g/mol
LogP6.43
Rot. Bonds5

About 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126210174) has the molecular formula C20H15BrClNO and a molecular weight of 400.70 g/mol. Its IUPAC name is 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126210174
Molecular FormulaC20H15BrClNO
Molecular Weight400.70 g/mol
Exact Mass399.00
IUPAC Name1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1
InChIInChI=1S/C20H15BrClNO/c21-19-12-15(13-23-18-7-2-1-3-8-18)9-10-20(19)24-14-16-5-4-6-17(22)11-16/h1-13H,14H2/b23-13+
InChIKeyZZOWSNBGYSNOFV-YDZHTSKRSA-N
XLogP6.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217330
1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
2-bromo-4-nitroso-1-phenylmethoxybenzene
CID 130451234
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214930

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126210174) is 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is ZZOWSNBGYSNOFV-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15BrClNO/c21-19-12-15(13-23-18-7-2-1-3-8-18)9-10-20(19)24-14-16-5-4-6-17(22)11-16/h1-13H,14H2/b23-13+.
What are the key properties of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 400.70 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126210174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).