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

C21H20FN3O — CID 118714238

IUPACN'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESC/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O/c1-14(15-9-11-17(22)12-10-15)24-25-21(23)13-20(26)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,26H,13H2,1H3,(H2,23,25)/b24-14+
InChIKeyXUZOMUJAJBNFLX-ZVHZXABRSA-N
MW349.41 g/mol
LogP4.18
Rot. Bonds5

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

N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (PubChem CID 118714238) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
PubChem CID118714238
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESC/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O/c1-14(15-9-11-17(22)12-10-15)24-25-21(23)13-20(26)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,26H,13H2,1H3,(H2,23,25)/b24-14+
InChIKeyXUZOMUJAJBNFLX-ZVHZXABRSA-N
XLogP4.18
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.18
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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Related Compounds

N'-[(E)-benzylideneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 49788263
3-hydroxy-3-(1-naphthyl)-N'-[(E)-p-tolylmethyleneamino]propanamidine
CID 118714226
3-hydroxy-3-(1-naphthyl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]propanamidine
CID 118714227
N'-[(E)-(4-fluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714230
N'-[(E)-(2,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714232
N'-[(E)-(3,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714233
3-hydroxy-3-(1-naphthyl)-N'-[(E)-1-phenylbutylideneamino]propanamidine
CID 118714237
3-hydroxy-3-(2-naphthyl)-N'-[(E)-p-tolylmethyleneamino]propanamidine
CID 118714239
N'-[(E)-benzylideneamino]-3-hydroxy-3-(9-phenanthryl)propanamidine
CID 118714248
N'-[(E)-(4-fluorophenyl)methyleneamino]-3-hydroxy-3-(9-phenanthryl)propanamidine
CID 118714249
3-hydroxy-N'-(nonan-5-ylideneamino)-3-phenanthren-9-ylpropanimidamide
CID 137634185
N'-[(E)-cyclohexylmethylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
CID 137646070

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The IUPAC name of N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (CID 118714238) is N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The canonical SMILES for N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is C/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The InChIKey is XUZOMUJAJBNFLX-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14(15-9-11-17(22)12-10-15)24-25-21(23)13-20(26)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,20,26H,13H2,1H3,(H2,23,25)/b24-14+.
What are the key properties of N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide has a molecular weight of 349.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is sourced from PubChem (CID 118714238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).