[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate

C17H16INO4 — CID 55327028

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyAZJIZESZQOCZLE-UHFFFAOYSA-N
MW425.22 g/mol
LogP3.16
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate (PubChem CID 55327028) has the molecular formula C17H16INO4 and a molecular weight of 425.22 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
PubChem CID55327028
Molecular FormulaC17H16INO4
Molecular Weight425.22 g/mol
Exact Mass425.01
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C17H16INO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyAZJIZESZQOCZLE-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
CID 8018922
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
[2-(4-methylanilino)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate
CID 55385627
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate (CID 55327028) is [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate is Cc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate?
The InChIKey is AZJIZESZQOCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO4/c1-12-2-6-14(7-3-12)19-16(20)10-23-17(21)11-22-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate has a molecular weight of 425.22 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate is sourced from PubChem (CID 55327028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).