ethyl 2-(4-iodoanilino)acetate

C10H12INO2 — CID 689360

IUPACethyl 2-(4-iodoanilino)acetate
SMILESCCOC(=O)CNc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyVEMDCCDETKYAEB-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-(4-iodoanilino)acetate

ethyl 2-(4-iodoanilino)acetate (PubChem CID 689360) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is ethyl 2-(4-iodoanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-iodoanilino)acetate
PubChem CID689360
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Nameethyl 2-(4-iodoanilino)acetate
SMILESCCOC(=O)CNc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyVEMDCCDETKYAEB-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-iodoanilino)acetate?
The IUPAC name of ethyl 2-(4-iodoanilino)acetate (CID 689360) is ethyl 2-(4-iodoanilino)acetate.
What is the SMILES notation for ethyl 2-(4-iodoanilino)acetate?
The canonical SMILES for ethyl 2-(4-iodoanilino)acetate is CCOC(=O)CNc1ccc(I)cc1.
What is the InChIKey of ethyl 2-(4-iodoanilino)acetate?
The InChIKey is VEMDCCDETKYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-iodoanilino)acetate?
ethyl 2-(4-iodoanilino)acetate has a molecular weight of 305.12 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-iodoanilino)acetate is sourced from PubChem (CID 689360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).