3-(2-hydroxyethyl)-2,4,6-triiodobenzamide

C9H8I3NO2 — CID 18429255

IUPAC3-(2-hydroxyethyl)-2,4,6-triiodobenzamide
SMILESNC(=O)c1c(I)cc(I)c(CCO)c1I
InChIInChI=1S/C9H8I3NO2/c10-5-3-6(11)7(9(13)15)8(12)4(5)1-2-14/h3,14H,1-2H2,(H2,13,15)
InChIKeyVAMRKNGNJXTJIE-UHFFFAOYSA-N
MW542.88 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide

3-(2-hydroxyethyl)-2,4,6-triiodobenzamide (PubChem CID 18429255) has the molecular formula C9H8I3NO2 and a molecular weight of 542.88 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,4,6-triiodobenzamide
PubChem CID18429255
Molecular FormulaC9H8I3NO2
Molecular Weight542.88 g/mol
Exact Mass542.77
IUPAC Name3-(2-hydroxyethyl)-2,4,6-triiodobenzamide
SMILESNC(=O)c1c(I)cc(I)c(CCO)c1I
InChIInChI=1S/C9H8I3NO2/c10-5-3-6(11)7(9(13)15)8(12)4(5)1-2-14/h3,14H,1-2H2,(H2,13,15)
InChIKeyVAMRKNGNJXTJIE-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.88
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 3-(hydroxymethyl)-
CID 182768
2-(3-Carbamoylphenyl)acetic acid
CID 57748706
(2-Hydroxyethyl)-terephthalamide
CID 129845691
2-(2-Hydroxyethyl)-6-(trifluoromethyl)benzamide
CID 22713600
2-Fluoro-4-(2-hydroxyethyl)benzamide
CID 22713616
2-Fluoro-3-(2-hydroxyethyl)benzamide
CID 22713654
3-[(3S)-1,3-difluoro-4-hydroxybutan-2-yl]-2-fluorobenzamide
CID 70815309
3-[(3R)-1,3-difluoro-4-hydroxybutan-2-yl]-2-fluorobenzamide
CID 70815384
2,3-Difluoro-5-(2-hydroxyethyl)benzamide
CID 70988144
2,4-Difluoro-3-(2-hydroxyethyl)benzamide
CID 89897744
3-(1,1-Difluoro-2-hydroxyethyl)benzamide
CID 123186030
2,4,6-Trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 142792702

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide?
The IUPAC name of 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide (CID 18429255) is 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide?
The canonical SMILES for 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide is NC(=O)c1c(I)cc(I)c(CCO)c1I.
What is the InChIKey of 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide?
The InChIKey is VAMRKNGNJXTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8I3NO2/c10-5-3-6(11)7(9(13)15)8(12)4(5)1-2-14/h3,14H,1-2H2,(H2,13,15).
What are the key properties of 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide?
3-(2-hydroxyethyl)-2,4,6-triiodobenzamide has a molecular weight of 542.88 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,4,6-triiodobenzamide is sourced from PubChem (CID 18429255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).