(2-anilino-2-oxoethyl) 4-iodobenzoate

C15H12INO3 — CID 2505448

IUPAC(2-anilino-2-oxoethyl) 4-iodobenzoate
SMILESO=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1
InChIInChI=1S/C15H12INO3/c16-12-8-6-11(7-9-12)15(19)20-10-14(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKeyYUDZZHZGXVRHLD-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.09
Rot. Bonds4

About (2-anilino-2-oxoethyl) 4-iodobenzoate

(2-anilino-2-oxoethyl) 4-iodobenzoate (PubChem CID 2505448) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-iodobenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-iodobenzoate
PubChem CID2505448
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name(2-anilino-2-oxoethyl) 4-iodobenzoate
SMILESO=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1
InChIInChI=1S/C15H12INO3/c16-12-8-6-11(7-9-12)15(19)20-10-14(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKeyYUDZZHZGXVRHLD-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
[2-(4-iodoanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592615
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
[2-(4-acetylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate
CID 19059169
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-iodobenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-iodobenzoate (CID 2505448) is (2-anilino-2-oxoethyl) 4-iodobenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-iodobenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-iodobenzoate is O=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-iodobenzoate?
The InChIKey is YUDZZHZGXVRHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c16-12-8-6-11(7-9-12)15(19)20-10-14(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18).
What are the key properties of (2-anilino-2-oxoethyl) 4-iodobenzoate?
(2-anilino-2-oxoethyl) 4-iodobenzoate has a molecular weight of 381.17 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-iodobenzoate is sourced from PubChem (CID 2505448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).