N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide

C30H23FN2O3 — CID 6111701

About N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 6111701) has the molecular formula C30H23FN2O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
• PubChem CID: 6111701
• Molecular Formula: C30H23FN2O3
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.17
• IUPAC Name: N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
• SMILES: O=C(COc1ccc2ccccc2c1)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12
• InChI: InChI=1S/C30H23FN2O3/c31-25-13-9-21(10-14-25)19-36-29-16-12-23-6-3-4-8-27(23)28(29)18-32-33-30(34)20-35-26-15-11-22-5-1-2-7-24(22)17-26/h1-18H,19-20H2,(H,33,34)/b32-18-
• InChIKey: DLXZAEMPNPKWTB-CAQPMQTCSA-N
• XLogP: 6.24
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide?

The IUPAC name of N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 6111701) is N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide.

What is the SMILES notation for N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide?

The canonical SMILES for N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12.

What is the InChIKey of N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide?

The InChIKey is DLXZAEMPNPKWTB-CAQPMQTCSA-N. The full InChI is InChI=1S/C30H23FN2O3/c31-25-13-9-21(10-14-25)19-36-29-16-12-23-6-3-4-8-27(23)28(29)18-32-33-30(34)20-35-26-15-11-22-5-1-2-7-24(22)17-26/h1-18H,19-20H2,(H,33,34)/b32-18-.

What are the key properties of N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide?

N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 478.52 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 6111701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).