N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

C20H18FN3O — CID 118714230

IUPACN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESN/C(CC(O)c1cccc2ccccc12)=N\N=C\c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c21-16-10-8-14(9-11-16)13-23-24-20(22)12-19(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+
InChIKeyRBNMYWFGJDDVDX-YDZHTSKRSA-N
MW335.38 g/mol
LogP3.79
Rot. Bonds5

About N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (PubChem CID 118714230) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
PubChem CID118714230
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESN/C(CC(O)c1cccc2ccccc12)=N\N=C\c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c21-16-10-8-14(9-11-16)13-23-24-20(22)12-19(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+
InChIKeyRBNMYWFGJDDVDX-YDZHTSKRSA-N
XLogP3.79
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (CID 118714230) is N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The canonical SMILES for N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is N/C(CC(O)c1cccc2ccccc12)=N\N=C\c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The InChIKey is RBNMYWFGJDDVDX-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-10-8-14(9-11-16)13-23-24-20(22)12-19(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+.
What are the key properties of N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
N'-[(E)-(4-fluorophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide has a molecular weight of 335.38 g/mol, XLogP of 3.79, 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-naphthalen-1-ylpropanimidamide is sourced from PubChem (CID 118714230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).