4-hydroxy-N-methyliodanuidylbenzamide

C8H9INO2- — CID 148793599

IUPAC4-hydroxy-N-methyliodanuidylbenzamide
SMILESC[I-]NC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H9INO2/c1-9-10-8(12)6-2-4-7(11)5-3-6/h2-5,11H,1H3,(H,10,12)/q-1
InChIKeyQQEFSCGWGMHZFW-UHFFFAOYSA-N
MW278.07 g/mol
LogP-2.24
Rot. Bonds2

About 4-hydroxy-N-methyliodanuidylbenzamide

4-hydroxy-N-methyliodanuidylbenzamide (PubChem CID 148793599) has the molecular formula C8H9INO2- and a molecular weight of 278.07 g/mol. Its IUPAC name is 4-hydroxy-N-methyliodanuidylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-methyliodanuidylbenzamide
PubChem CID148793599
Molecular FormulaC8H9INO2-
Molecular Weight278.07 g/mol
Exact Mass277.97
IUPAC Name4-hydroxy-N-methyliodanuidylbenzamide
SMILESC[I-]NC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H9INO2/c1-9-10-8(12)6-2-4-7(11)5-3-6/h2-5,11H,1H3,(H,10,12)/q-1
InChIKeyQQEFSCGWGMHZFW-UHFFFAOYSA-N
XLogP-2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyliodanuidylbenzamide?
The IUPAC name of 4-hydroxy-N-methyliodanuidylbenzamide (CID 148793599) is 4-hydroxy-N-methyliodanuidylbenzamide.
What is the SMILES notation for 4-hydroxy-N-methyliodanuidylbenzamide?
The canonical SMILES for 4-hydroxy-N-methyliodanuidylbenzamide is C[I-]NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyliodanuidylbenzamide?
The InChIKey is QQEFSCGWGMHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9INO2/c1-9-10-8(12)6-2-4-7(11)5-3-6/h2-5,11H,1H3,(H,10,12)/q-1.
What are the key properties of 4-hydroxy-N-methyliodanuidylbenzamide?
4-hydroxy-N-methyliodanuidylbenzamide has a molecular weight of 278.07 g/mol, XLogP of -2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyliodanuidylbenzamide is sourced from PubChem (CID 148793599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).