1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine

C24H23FINO3 — CID 126223346

IUPAC1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1
InChIInChI=1S/C24H23FINO3/c1-3-28-21-11-9-20(10-12-21)27-15-18-13-22(26)24(23(14-18)29-4-2)30-16-17-5-7-19(25)8-6-17/h5-15H,3-4,16H2,1-2H3/b27-15+
InChIKeySNZPRBOEBNFKSK-JFLMPSFJSA-N
MW519.35 g/mol
LogP6.56
Rot. Bonds9

About 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine

1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126223346) has the molecular formula C24H23FINO3 and a molecular weight of 519.35 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126223346
Molecular FormulaC24H23FINO3
Molecular Weight519.35 g/mol
Exact Mass519.07
IUPAC Name1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1
InChIInChI=1S/C24H23FINO3/c1-3-28-21-11-9-20(10-12-21)27-15-18-13-22(26)24(23(14-18)29-4-2)30-16-17-5-7-19(25)8-6-17/h5-15H,3-4,16H2,1-2H3/b27-15+
InChIKeySNZPRBOEBNFKSK-JFLMPSFJSA-N
XLogP6.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.35
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126224516
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
4-ethoxy-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methyl]aniline
CID 126128745
1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126214862
1-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methylideneamino]-3-ethylthiourea
CID 126378055
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine (CID 126223346) is 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1.
What is the InChIKey of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is SNZPRBOEBNFKSK-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H23FINO3/c1-3-28-21-11-9-20(10-12-21)27-15-18-13-22(26)24(23(14-18)29-4-2)30-16-17-5-7-19(25)8-6-17/h5-15H,3-4,16H2,1-2H3/b27-15+.
What are the key properties of 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine?
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 519.35 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).