N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C27H20FN3O2 — CID 3389420

About N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3389420) has the molecular formula C27H20FN3O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
• PubChem CID: 3389420
• Molecular Formula: C27H20FN3O2
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.15
• IUPAC Name: N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
• SMILES: O=C(NN=Cc1cn(Cc2ccccc2F)c2ccccc12)c1cc2ccccc2cc1O
• InChI: InChI=1S/C27H20FN3O2/c28-24-11-5-3-9-20(24)16-31-17-21(22-10-4-6-12-25(22)31)15-29-30-27(33)23-13-18-7-1-2-8-19(18)14-26(23)32/h1-15,17,32H,16H2,(H,30,33)
• InChIKey: CVGVKXBZICXYDC-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 66.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'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-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?

The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 3389420) is N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?

The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1cn(Cc2ccccc2F)c2ccccc12)c1cc2ccccc2cc1O.

What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?

The InChIKey is CVGVKXBZICXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2/c28-24-11-5-3-9-20(24)16-31-17-21(22-10-4-6-12-25(22)31)15-29-30-27(33)23-13-18-7-1-2-8-19(18)14-26(23)32/h1-15,17,32H,16H2,(H,30,33).

What are the key properties of N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?

N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3389420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).