5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide

C11H12I2N2O4 — CID 175125676

IUPAC5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(CC(O)CO)c(I)c(C(N)=O)c1I
InChIInChI=1S/C11H12I2N2O4/c12-8-4(1-5(17)3-16)2-6(10(14)18)9(13)7(8)11(15)19/h2,5,16-17H,1,3H2,(H2,14,18)(H2,15,19)
InChIKeyOSCOYUADWFFNIY-UHFFFAOYSA-N
MW490.04 g/mol
LogP-0.01
Rot. Bonds5

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

5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide (PubChem CID 175125676) has the molecular formula C11H12I2N2O4 and a molecular weight of 490.04 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide
PubChem CID175125676
Molecular FormulaC11H12I2N2O4
Molecular Weight490.04 g/mol
Exact Mass489.89
IUPAC Name5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(CC(O)CO)c(I)c(C(N)=O)c1I
InChIInChI=1S/C11H12I2N2O4/c12-8-4(1-5(17)3-16)2-6(10(14)18)9(13)7(8)11(15)19/h2,5,16-17H,1,3H2,(H2,14,18)(H2,15,19)
InChIKeyOSCOYUADWFFNIY-UHFFFAOYSA-N
XLogP-0.01
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide?
The IUPAC name of 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide (CID 175125676) is 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide?
The canonical SMILES for 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide is NC(=O)c1cc(CC(O)CO)c(I)c(C(N)=O)c1I.
What is the InChIKey of 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide?
The InChIKey is OSCOYUADWFFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12I2N2O4/c12-8-4(1-5(17)3-16)2-6(10(14)18)9(13)7(8)11(15)19/h2,5,16-17H,1,3H2,(H2,14,18)(H2,15,19).
What are the key properties of 5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide?
5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide has a molecular weight of 490.04 g/mol, XLogP of -0.01, 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-diiodobenzene-1,3-dicarboxamide is sourced from PubChem (CID 175125676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).