N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide

C17H14IN3O3 — CID 1138559

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C17H14IN3O3/c1-21-14-5-3-2-4-13(14)16(17(21)23)20-19-15(22)10-24-12-8-6-11(18)7-9-12/h2-9,23H,10H2,1H3/b20-19+
InChIKeyQPUSDUBBQKIQKR-FMQUCBEESA-N
MW435.22 g/mol
LogP4.18
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide (PubChem CID 1138559) has the molecular formula C17H14IN3O3 and a molecular weight of 435.22 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
PubChem CID1138559
Molecular FormulaC17H14IN3O3
Molecular Weight435.22 g/mol
Exact Mass435.01
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C17H14IN3O3/c1-21-14-5-3-2-4-13(14)16(17(21)23)20-19-15(22)10-24-12-8-6-11(18)7-9-12/h2-9,23H,10H2,1H3/b20-19+
InChIKeyQPUSDUBBQKIQKR-FMQUCBEESA-N
XLogP4.18
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide (CID 1138559) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide is Cn1c(O)c(/N=N/C(=O)COc2ccc(I)cc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide?
The InChIKey is QPUSDUBBQKIQKR-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14IN3O3/c1-21-14-5-3-2-4-13(14)16(17(21)23)20-19-15(22)10-24-12-8-6-11(18)7-9-12/h2-9,23H,10H2,1H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide has a molecular weight of 435.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 1138559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).