2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide

C18H16IN3O2 — CID 73351354

IUPAC2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C
InChIInChI=1S/C18H16IN3O2/c1-11(16-9-12-5-3-4-6-15(12)22(16)2)20-21-18(24)14-10-13(19)7-8-17(14)23/h3-10,23H,1-2H3,(H,21,24)
InChIKeyJJDAIVVNGKBPAM-UHFFFAOYSA-N
MW433.25 g/mol
LogP3.64
Rot. Bonds3

About 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide

2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide (PubChem CID 73351354) has the molecular formula C18H16IN3O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
PubChem CID73351354
Molecular FormulaC18H16IN3O2
Molecular Weight433.25 g/mol
Exact Mass433.03
IUPAC Name2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C
InChIInChI=1S/C18H16IN3O2/c1-11(16-9-12-5-3-4-6-15(12)22(16)2)20-21-18(24)14-10-13(19)7-8-17(14)23/h3-10,23H,1-2H3,(H,21,24)
InChIKeyJJDAIVVNGKBPAM-UHFFFAOYSA-N
XLogP3.64
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide (CID 73351354) is 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C.
What is the InChIKey of 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The InChIKey is JJDAIVVNGKBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O2/c1-11(16-9-12-5-3-4-6-15(12)22(16)2)20-21-18(24)14-10-13(19)7-8-17(14)23/h3-10,23H,1-2H3,(H,21,24).
What are the key properties of 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide has a molecular weight of 433.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 73351354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).