5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

C11H11I3N2O4 — CID 18185834

IUPAC5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
SMILESNC(=O)c1c(I)c(CC(O)CO)c(I)c(C(N)=O)c1I
InChIInChI=1S/C11H11I3N2O4/c12-7-4(1-3(18)2-17)8(13)6(11(16)20)9(14)5(7)10(15)19/h3,17-18H,1-2H2,(H2,15,19)(H2,16,20)
InChIKeyNNIGNXCBAHWYLI-UHFFFAOYSA-N
MW615.93 g/mol
LogP0.59
Rot. Bonds5

About 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (PubChem CID 18185834) has the molecular formula C11H11I3N2O4 and a molecular weight of 615.93 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
PubChem CID18185834
Molecular FormulaC11H11I3N2O4
Molecular Weight615.93 g/mol
Exact Mass615.79
IUPAC Name5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
SMILESNC(=O)c1c(I)c(CC(O)CO)c(I)c(C(N)=O)c1I
InChIInChI=1S/C11H11I3N2O4/c12-7-4(1-3(18)2-17)8(13)6(11(16)20)9(14)5(7)10(15)19/h3,17-18H,1-2H2,(H2,15,19)(H2,16,20)
InChIKeyNNIGNXCBAHWYLI-UHFFFAOYSA-N
XLogP0.59
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.93
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-Dihydroxypropyl]isophthalamide
CID 22289979
3-(2-Hydroxyethyl)-2,4,6-triiodobenzamide
CID 18429255
1-N,3-N,5-tris(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 20291936
3-Carbamoyl-5-(2-hydroxyethyl)-2,4,6-triiodobenzoic acid
CID 54489349
3-(3-Amino-2-hydroxypropyl)-5-carbamoyl-2,4,6-triiodobenzoic acid
CID 57070976
[2-Acetyloxy-3-(3,5-dicarbamoyl-2,4,6-triiodophenyl)propyl] acetate
CID 57135218
N-carbamoyl-3,5-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzamide
CID 87174720
3-N,5-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 87217286
5-(2-Hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 87521675
1-N,3-N-bis(2,3-dihydroxypropyl)-5-(2-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 88293517
3-Carbamoyl-5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzoic acid
CID 88415491
3-(3-Amino-2,3-dihydroxypropyl)-5-carbamoyl-2,4,6-triiodobenzoic acid
CID 88415495

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?
The IUPAC name of 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide (CID 18185834) is 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?
The canonical SMILES for 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is NC(=O)c1c(I)c(CC(O)CO)c(I)c(C(N)=O)c1I.
What is the InChIKey of 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?
The InChIKey is NNIGNXCBAHWYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I3N2O4/c12-7-4(1-3(18)2-17)8(13)6(11(16)20)9(14)5(7)10(15)19/h3,17-18H,1-2H2,(H2,15,19)(H2,16,20).
What are the key properties of 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide?
5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide has a molecular weight of 615.93 g/mol, XLogP of 0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide is sourced from PubChem (CID 18185834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).