N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide

C18H18INO4 — CID 126259987

IUPACN-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H18INO4/c1-11-4-5-12(2)15(6-11)20-17(22)10-24-18-14(19)7-13(9-21)8-16(18)23-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyGWXHHKXGZPNHLG-UHFFFAOYSA-N
MW439.25 g/mol
LogP3.75
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide

N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide (PubChem CID 126259987) has the molecular formula C18H18INO4 and a molecular weight of 439.25 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
PubChem CID126259987
Molecular FormulaC18H18INO4
Molecular Weight439.25 g/mol
Exact Mass439.03
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H18INO4/c1-11-4-5-12(2)15(6-11)20-17(22)10-24-18-14(19)7-13(9-21)8-16(18)23-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyGWXHHKXGZPNHLG-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126269915
ethyl 2-[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 5227195
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 17202159
N-(2,5-dimethylphenyl)-2-[2-iodo-6-methoxy-4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126265002
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 17018818
N-[(E)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126268898
2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide (CID 126259987) is N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide is COc1cc(C=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
The InChIKey is GWXHHKXGZPNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO4/c1-11-4-5-12(2)15(6-11)20-17(22)10-24-18-14(19)7-13(9-21)8-16(18)23-3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide?
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide has a molecular weight of 439.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 126259987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).