N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine

C20H13Br2ClFNO — CID 126191305

IUPACN-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1Cl
InChIInChI=1S/C20H13Br2ClFNO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-16-5-8-20(24)19(23)10-16/h1-11H,12H2/b25-11+
InChIKeyQPOFOGBAQGBIFS-OPEKNORGSA-N
MW497.59 g/mol
LogP7.33
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine

N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine (PubChem CID 126191305) has the molecular formula C20H13Br2ClFNO and a molecular weight of 497.59 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine
PubChem CID126191305
Molecular FormulaC20H13Br2ClFNO
Molecular Weight497.59 g/mol
Exact Mass494.90
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1Cl
InChIInChI=1S/C20H13Br2ClFNO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-16-5-8-20(24)19(23)10-16/h1-11H,12H2/b25-11+
InChIKeyQPOFOGBAQGBIFS-OPEKNORGSA-N
XLogP7.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 57.33
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-[(2,4-dibromophenyl)methoxy]phenyl]-N-(4-iodophenyl)methanimine
CID 126191637
2-chloro-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]benzoic acid
CID 126193203
1-[4-[(2,4-dibromophenyl)methoxy]phenyl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126195588
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
1-(4-chlorophenyl)-3-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]urea
CID 126192638
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
CID 21239979
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine (CID 126191305) is N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine is Fc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine?
The InChIKey is QPOFOGBAQGBIFS-OPEKNORGSA-N. The full InChI is InChI=1S/C20H13Br2ClFNO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-16-5-8-20(24)19(23)10-16/h1-11H,12H2/b25-11+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine?
N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine has a molecular weight of 497.59 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126191305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).