N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide

C24H18I2N2O3 — CID 6011240

About N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide

N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 6011240) has the molecular formula C24H18I2N2O3 and a molecular weight of 636.23 g/mol. Its IUPAC name is N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
• PubChem CID: 6011240
• Molecular Formula: C24H18I2N2O3
• Molecular Weight: 636.23 g/mol
• Exact Mass: 635.94
• IUPAC Name: N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide
• SMILES: Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)o1
• InChI: InChI=1S/C24H18I2N2O3/c1-15-9-10-22(31-15)24(29)28-27-13-16-11-20(25)23(21(26)12-16)30-14-18-7-4-6-17-5-2-3-8-19(17)18/h2-13H,14H2,1H3,(H,28,29)/b27-13-
• InChIKey: ABUDKFDZFZHTHT-WKIKZPBSSA-N
• XLogP: 6.29
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.23
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide?

The IUPAC name of N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide (CID 6011240) is N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide.

What is the SMILES notation for N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide?

The canonical SMILES for N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)o1.

What is the InChIKey of N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide?

The InChIKey is ABUDKFDZFZHTHT-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H18I2N2O3/c1-15-9-10-22(31-15)24(29)28-27-13-16-11-20(25)23(21(26)12-16)30-14-18-7-4-6-17-5-2-3-8-19(17)18/h2-13H,14H2,1H3,(H,28,29)/b27-13-.

What are the key properties of N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide?

N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 636.23 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 6011240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).