N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine

C22H18ClFINO2 — CID 126216241

IUPACN-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C22H18ClFINO2/c1-14-6-7-17(23)11-20(14)26-12-16-9-19(25)22(21(10-16)27-2)28-13-15-4-3-5-18(24)8-15/h3-12H,13H2,1-2H3/b26-12+
InChIKeyKLCDXALQVWMAND-RPPGKUMJSA-N
MW509.75 g/mol
LogP6.73
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine

N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (PubChem CID 126216241) has the molecular formula C22H18ClFINO2 and a molecular weight of 509.75 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
PubChem CID126216241
Molecular FormulaC22H18ClFINO2
Molecular Weight509.75 g/mol
Exact Mass509.01
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C22H18ClFINO2/c1-14-6-7-17(23)11-20(14)26-12-16-9-19(25)22(21(10-16)27-2)28-13-15-4-3-5-18(24)8-15/h3-12H,13H2,1-2H3/b26-12+
InChIKeyKLCDXALQVWMAND-RPPGKUMJSA-N
XLogP6.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.75
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
(5E)-3-(3-chlorophenyl)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072682
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (CID 126216241) is N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc(F)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The InChIKey is KLCDXALQVWMAND-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18ClFINO2/c1-14-6-7-17(23)11-20(14)26-12-16-9-19(25)22(21(10-16)27-2)28-13-15-4-3-5-18(24)8-15/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine has a molecular weight of 509.75 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is sourced from PubChem (CID 126216241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).