[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C16H13ClINO4 — CID 41465436

IUPAC[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1cccc(I)c1
InChIInChI=1S/C16H13ClINO4/c17-13-6-1-2-7-14(13)22-10-16(21)23-9-15(20)19-12-5-3-4-11(18)8-12/h1-8H,9-10H2,(H,19,20)
InChIKeyWWWRDVSQGOYSMY-UHFFFAOYSA-N
MW445.64 g/mol
LogP3.51
Rot. Bonds6

About [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 41465436) has the molecular formula C16H13ClINO4 and a molecular weight of 445.64 g/mol. Its IUPAC name is [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID41465436
Molecular FormulaC16H13ClINO4
Molecular Weight445.64 g/mol
Exact Mass444.96
IUPAC Name[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1cccc(I)c1
InChIInChI=1S/C16H13ClINO4/c17-13-6-1-2-7-14(13)22-10-16(21)23-9-15(20)19-12-5-3-4-11(18)8-12/h1-8H,9-10H2,(H,19,20)
InChIKeyWWWRDVSQGOYSMY-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 53.51
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

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
[2-(3-iodoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014515
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341

Frequently Asked Questions

What is the IUPAC name of [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 41465436) is [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is O=C(COC(=O)COc1ccccc1Cl)Nc1cccc(I)c1.
What is the InChIKey of [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is WWWRDVSQGOYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO4/c17-13-6-1-2-7-14(13)22-10-16(21)23-9-15(20)19-12-5-3-4-11(18)8-12/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 445.64 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 41465436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).