N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide

C24H20FN3O3 — CID 25237274

IUPACN-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2cn(Cc3cccc(F)c3)c3ccccc23)ccc1O
InChIInChI=1S/C24H20FN3O3/c1-31-23-12-17(9-10-22(23)29)24(30)27-26-13-18-15-28(21-8-3-2-7-20(18)21)14-16-5-4-6-19(25)11-16/h2-13,15,29H,14H2,1H3,(H,27,30)/b26-13+
InChIKeyPCUAEXYTWAXLIV-LGJNPRDNSA-N
MW417.44 g/mol
LogP4.31
Rot. Bonds6

About N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide

N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide (PubChem CID 25237274) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide
PubChem CID25237274
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2cn(Cc3cccc(F)c3)c3ccccc23)ccc1O
InChIInChI=1S/C24H20FN3O3/c1-31-23-12-17(9-10-22(23)29)24(30)27-26-13-18-15-28(21-8-3-2-7-20(18)21)14-16-5-4-6-19(25)11-16/h2-13,15,29H,14H2,1H3,(H,27,30)/b26-13+
InChIKeyPCUAEXYTWAXLIV-LGJNPRDNSA-N
XLogP4.31
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide (CID 25237274) is N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)N/N=C/c2cn(Cc3cccc(F)c3)c3ccccc23)ccc1O.
What is the InChIKey of N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide?
The InChIKey is PCUAEXYTWAXLIV-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-31-23-12-17(9-10-22(23)29)24(30)27-26-13-18-15-28(21-8-3-2-7-20(18)21)14-16-5-4-6-19(25)11-16/h2-13,15,29H,14H2,1H3,(H,27,30)/b26-13+.
What are the key properties of N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide?
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide has a molecular weight of 417.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 25237274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).