4-butoxy-3,5-diiodobenzamide

C11H13I2NO2 — CID 24834301

IUPAC4-butoxy-3,5-diiodobenzamide
SMILESCCCCOc1c(I)cc(C(N)=O)cc1I
InChIInChI=1S/C11H13I2NO2/c1-2-3-4-16-10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyTXRDVPZODZRVTP-UHFFFAOYSA-N
MW445.04 g/mol
LogP3.17
Rot. Bonds5

About 4-butoxy-3,5-diiodobenzamide

4-butoxy-3,5-diiodobenzamide (PubChem CID 24834301) has the molecular formula C11H13I2NO2 and a molecular weight of 445.04 g/mol. Its IUPAC name is 4-butoxy-3,5-diiodobenzamide.

Molecular Properties

Compound Name4-butoxy-3,5-diiodobenzamide
PubChem CID24834301
Molecular FormulaC11H13I2NO2
Molecular Weight445.04 g/mol
Exact Mass444.90
IUPAC Name4-butoxy-3,5-diiodobenzamide
SMILESCCCCOc1c(I)cc(C(N)=O)cc1I
InChIInChI=1S/C11H13I2NO2/c1-2-3-4-16-10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyTXRDVPZODZRVTP-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.04
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3,5-diiodobenzamide
CID 24834347
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
butyl 3-acetyl-4-butoxy-5-iodobenzoate
CID 10621907
3,5-di(pentadecoxy)benzamide
CID 69275649
butyl 2-(4-carbamoyl-2,6-dimethylphenoxy)acetate
CID 65453910
2-hexoxy-1,3,5-triiodobenzene
CID 18999254
2-dodecoxy-1,3,5-triiodobenzene
CID 139999122
4-ethoxy-3,5-diiodobenzoic acid
CID 91972425
3-iodo-5-methoxy-4-prop-2-enoxybenzamide
CID 27186888
4-butoxy-3-methoxybenzamide
CID 47102628
3-amino-4-butoxybenzamide
CID 43448596
4-ethoxy-3-iodo-5-phenylmethoxybenzamide
CID 1008050

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-diiodobenzamide?
The IUPAC name of 4-butoxy-3,5-diiodobenzamide (CID 24834301) is 4-butoxy-3,5-diiodobenzamide.
What is the SMILES notation for 4-butoxy-3,5-diiodobenzamide?
The canonical SMILES for 4-butoxy-3,5-diiodobenzamide is CCCCOc1c(I)cc(C(N)=O)cc1I.
What is the InChIKey of 4-butoxy-3,5-diiodobenzamide?
The InChIKey is TXRDVPZODZRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2NO2/c1-2-3-4-16-10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,2-4H2,1H3,(H2,14,15).
What are the key properties of 4-butoxy-3,5-diiodobenzamide?
4-butoxy-3,5-diiodobenzamide has a molecular weight of 445.04 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-diiodobenzamide is sourced from PubChem (CID 24834301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).