2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide

C24H23IN2O3 — CID 126219265

IUPAC2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H23IN2O3/c1-16-9-10-21(17(2)11-16)26-14-18-12-20(25)24(22(13-18)29-3)30-15-23(28)27-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+
InChIKeySBHFXHKXYJANKZ-VULFUBBASA-N
MW514.36 g/mol
LogP5.68
Rot. Bonds7

About 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide

2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide (PubChem CID 126219265) has the molecular formula C24H23IN2O3 and a molecular weight of 514.36 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
PubChem CID126219265
Molecular FormulaC24H23IN2O3
Molecular Weight514.36 g/mol
Exact Mass514.08
IUPAC Name2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H23IN2O3/c1-16-9-10-21(17(2)11-16)26-14-18-12-20(25)24(22(13-18)29-3)30-15-23(28)27-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+
InChIKeySBHFXHKXYJANKZ-VULFUBBASA-N
XLogP5.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.36
LogP ≤ 55.68
H-Bond Donors ≤ 51
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

2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 126206250
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
4-[[4-(carboxymethoxy)-3-iodo-5-methoxyphenyl]methylideneamino]-3-methylbenzoic acid
CID 23851912
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987
N-[(E)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126255223
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126269915
2-[4-bromo-2-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide (CID 126219265) is 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide is COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is SBHFXHKXYJANKZ-VULFUBBASA-N. The full InChI is InChI=1S/C24H23IN2O3/c1-16-9-10-21(17(2)11-16)26-14-18-12-20(25)24(22(13-18)29-3)30-15-23(28)27-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+.
What are the key properties of 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 514.36 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 126219265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).