4-ethoxy-3,5-diiodobenzamide

C9H9I2NO2 — CID 24834347

IUPAC4-ethoxy-3,5-diiodobenzamide
SMILESCCOc1c(I)cc(C(N)=O)cc1I
InChIInChI=1S/C9H9I2NO2/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyXZRFORXCPMKADE-UHFFFAOYSA-N
MW416.98 g/mol
LogP2.39
Rot. Bonds3

About 4-ethoxy-3,5-diiodobenzamide

4-ethoxy-3,5-diiodobenzamide (PubChem CID 24834347) has the molecular formula C9H9I2NO2 and a molecular weight of 416.98 g/mol. Its IUPAC name is 4-ethoxy-3,5-diiodobenzamide.

Molecular Properties

Compound Name4-ethoxy-3,5-diiodobenzamide
PubChem CID24834347
Molecular FormulaC9H9I2NO2
Molecular Weight416.98 g/mol
Exact Mass416.87
IUPAC Name4-ethoxy-3,5-diiodobenzamide
SMILESCCOc1c(I)cc(C(N)=O)cc1I
InChIInChI=1S/C9H9I2NO2/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13)
InChIKeyXZRFORXCPMKADE-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.98
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3,5-diiodobenzamide
CID 24834301
4-ethoxy-3,5-diiodobenzoic acid
CID 91972425
4-ethoxy-3-iodo-5-phenylmethoxybenzamide
CID 1008050
2-ethoxy-3,5-diiodobenzamide
CID 132591548
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
CID 91682374
3-iodo-5-methoxy-4-prop-2-enoxybenzamide
CID 27186888
1-[5-(difluoromethyl)-2-ethoxy-3-iodophenyl]ethanone
CID 171032479
2-ethoxy-1,3-diiodobenzene
CID 165359155
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164
(Z)-N-carbamoyl-2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamide
CID 126261926
ethyl 3,5-diiodo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 10602479

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,5-diiodobenzamide?
The IUPAC name of 4-ethoxy-3,5-diiodobenzamide (CID 24834347) is 4-ethoxy-3,5-diiodobenzamide.
What is the SMILES notation for 4-ethoxy-3,5-diiodobenzamide?
The canonical SMILES for 4-ethoxy-3,5-diiodobenzamide is CCOc1c(I)cc(C(N)=O)cc1I.
What is the InChIKey of 4-ethoxy-3,5-diiodobenzamide?
The InChIKey is XZRFORXCPMKADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I2NO2/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,2H2,1H3,(H2,12,13).
What are the key properties of 4-ethoxy-3,5-diiodobenzamide?
4-ethoxy-3,5-diiodobenzamide has a molecular weight of 416.98 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,5-diiodobenzamide is sourced from PubChem (CID 24834347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).