N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide

C24H20FN3O — CID 118714249

IUPACN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
SMILESN/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O/c25-18-11-9-16(10-12-18)15-27-28-24(26)14-23(29)22-13-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-13,15,23,29H,14H2,(H2,26,28)/b27-15+
InChIKeyOLVJZIDSNBURNS-JFLMPSFJSA-N
MW385.44 g/mol
LogP4.95
Rot. Bonds5

About N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide

N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide (PubChem CID 118714249) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
PubChem CID118714249
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
SMILESN/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O/c25-18-11-9-16(10-12-18)15-27-28-24(26)14-23(29)22-13-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-13,15,23,29H,14H2,(H2,26,28)/b27-15+
InChIKeyOLVJZIDSNBURNS-JFLMPSFJSA-N
XLogP4.95
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide (CID 118714249) is N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The canonical SMILES for N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide is N/C(CC(O)c1cc2ccccc2c2ccccc12)=N\N=C\c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
The InChIKey is OLVJZIDSNBURNS-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-18-11-9-16(10-12-18)15-27-28-24(26)14-23(29)22-13-17-5-1-2-6-19(17)20-7-3-4-8-21(20)22/h1-13,15,23,29H,14H2,(H2,26,28)/b27-15+.
What are the key properties of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide?
N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide has a molecular weight of 385.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide is sourced from PubChem (CID 118714249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).