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

C22H17Cl3INO2 — CID 126217602

IUPACN-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl3INO2/c1-13-17(24)4-3-5-20(13)27-11-14-8-19(26)22(21(9-14)28-2)29-12-15-6-7-16(23)10-18(15)25/h3-11H,12H2,1-2H3/b27-11+
InChIKeyNQGHVPCRGVXPMD-LUOAPIJWSA-N
MW560.65 g/mol
LogP7.90
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (PubChem CID 126217602) has the molecular formula C22H17Cl3INO2 and a molecular weight of 560.65 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
PubChem CID126217602
Molecular FormulaC22H17Cl3INO2
Molecular Weight560.65 g/mol
Exact Mass558.94
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl3INO2/c1-13-17(24)4-3-5-20(13)27-11-14-8-19(26)22(21(9-14)28-2)29-12-15-6-7-16(23)10-18(15)25/h3-11H,12H2,1-2H3/b27-11+
InChIKeyNQGHVPCRGVXPMD-LUOAPIJWSA-N
XLogP7.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 57.90
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

N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]indene-1,3-dione
CID 3935429
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (CID 126217602) is N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The InChIKey is NQGHVPCRGVXPMD-LUOAPIJWSA-N. The full InChI is InChI=1S/C22H17Cl3INO2/c1-13-17(24)4-3-5-20(13)27-11-14-8-19(26)22(21(9-14)28-2)29-12-15-6-7-16(23)10-18(15)25/h3-11H,12H2,1-2H3/b27-11+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine has a molecular weight of 560.65 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is sourced from PubChem (CID 126217602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).