1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine

C22H18Cl2INO3 — CID 126217637

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1
InChIInChI=1S/C22H18Cl2INO3/c1-27-18-7-5-17(6-8-18)26-12-14-9-20(25)22(21(10-14)28-2)29-13-15-3-4-16(23)11-19(15)24/h3-12H,13H2,1-2H3/b26-12+
InChIKeyNTRYATLXMFZNJI-RPPGKUMJSA-N
MW542.20 g/mol
LogP6.94
Rot. Bonds7

About 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine

1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine (PubChem CID 126217637) has the molecular formula C22H18Cl2INO3 and a molecular weight of 542.20 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
PubChem CID126217637
Molecular FormulaC22H18Cl2INO3
Molecular Weight542.20 g/mol
Exact Mass540.97
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1
InChIInChI=1S/C22H18Cl2INO3/c1-27-18-7-5-17(6-8-18)26-12-14-9-20(25)22(21(10-14)28-2)29-13-15-3-4-16(23)11-19(15)24/h3-12H,13H2,1-2H3/b26-12+
InChIKeyNTRYATLXMFZNJI-RPPGKUMJSA-N
XLogP6.94
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.20
LogP ≤ 56.94
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-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126214862
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 124537190
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]indene-1,3-dione
CID 3935429
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137050842
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]acetamide
CID 126367601
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126251707
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine (CID 126217637) is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is NTRYATLXMFZNJI-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Cl2INO3/c1-27-18-7-5-17(6-8-18)26-12-14-9-20(25)22(21(10-14)28-2)29-13-15-3-4-16(23)11-19(15)24/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine?
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 542.20 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126217637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).