N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide

C11H12I3NO2 — CID 24834339

IUPACN,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide
SMILESCCN(CC)C(=O)c1c(I)cc(I)c(O)c1I
InChIInChI=1S/C11H12I3NO2/c1-3-15(4-2)11(17)8-6(12)5-7(13)10(16)9(8)14/h5,16H,3-4H2,1-2H3
InChIKeyIXDQNPVNZDWGPN-UHFFFAOYSA-N
MW570.93 g/mol
LogP3.69
Rot. Bonds3

About N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide

N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide (PubChem CID 24834339) has the molecular formula C11H12I3NO2 and a molecular weight of 570.93 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide
PubChem CID24834339
Molecular FormulaC11H12I3NO2
Molecular Weight570.93 g/mol
Exact Mass570.80
IUPAC NameN,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide
SMILESCCN(CC)C(=O)c1c(I)cc(I)c(O)c1I
InChIInChI=1S/C11H12I3NO2/c1-3-15(4-2)11(17)8-6(12)5-7(13)10(16)9(8)14/h5,16H,3-4H2,1-2H3
InChIKeyIXDQNPVNZDWGPN-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.93
LogP ≤ 53.69
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

sodium 2-[3-(diethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate
CID 24836071
N,N-diethyl-3,5-diiodobenzamide
CID 66651843
3-(diethylamino)-2,4,6-triiodobenzoyl chloride
CID 175364773
N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905662
3-[(2-hydroxyacetyl)amino]-N,N-bis(2-hydroxyethyl)-2,4,6-triiodobenzamide
CID 141232602
N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
CID 67216621
3-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 87402693
3,3,3-trifluoro-2-[(3-hydroxy-2,4,6-triiodobenzoyl)amino]propane-1-sulfonic acid
CID 157295520
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
CID 61233992

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide?
The IUPAC name of N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide (CID 24834339) is N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide.
What is the SMILES notation for N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide?
The canonical SMILES for N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide is CCN(CC)C(=O)c1c(I)cc(I)c(O)c1I.
What is the InChIKey of N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide?
The InChIKey is IXDQNPVNZDWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12I3NO2/c1-3-15(4-2)11(17)8-6(12)5-7(13)10(16)9(8)14/h5,16H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide?
N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide has a molecular weight of 570.93 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxy-2,4,6-triiodobenzamide is sourced from PubChem (CID 24834339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).