1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine

C22H19ClINO3 — CID 126214862

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1
InChIInChI=1S/C22H19ClINO3/c1-26-19-9-7-18(8-10-19)25-13-16-11-20(24)22(21(12-16)27-2)28-14-15-3-5-17(23)6-4-15/h3-13H,14H2,1-2H3/b25-13+
InChIKeyDHCDMKCBZMMFJL-DHRITJCHSA-N
MW507.76 g/mol
LogP6.29
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine

1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine (PubChem CID 126214862) has the molecular formula C22H19ClINO3 and a molecular weight of 507.76 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
PubChem CID126214862
Molecular FormulaC22H19ClINO3
Molecular Weight507.76 g/mol
Exact Mass507.01
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1
InChIInChI=1S/C22H19ClINO3/c1-26-19-9-7-18(8-10-19)25-13-16-11-20(24)22(21(12-16)27-2)28-14-15-3-5-17(23)6-4-15/h3-13H,14H2,1-2H3/b25-13+
InChIKeyDHCDMKCBZMMFJL-DHRITJCHSA-N
XLogP6.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.76
LogP ≤ 56.29
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-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245650
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enamide
CID 91685137
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126223016
1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208356
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 99945412
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
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-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine (CID 126214862) is 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is DHCDMKCBZMMFJL-DHRITJCHSA-N. The full InChI is InChI=1S/C22H19ClINO3/c1-26-19-9-7-18(8-10-19)25-13-16-11-20(24)22(21(12-16)27-2)28-14-15-3-5-17(23)6-4-15/h3-13H,14H2,1-2H3/b25-13+.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 507.76 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126214862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).