N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide

C17H12ClFN2O — CID 57414686

IUPACN'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide
SMILESON/C(=N\c1ccc(Cl)cc1)c1cc2ccccc2cc1F
InChIInChI=1S/C17H12ClFN2O/c18-13-5-7-14(8-6-13)20-17(21-22)15-9-11-3-1-2-4-12(11)10-16(15)19/h1-10,22H,(H,20,21)
InChIKeyQOVWFEKGUCGCTI-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.69
Rot. Bonds2

About N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide

N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide (PubChem CID 57414686) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide
PubChem CID57414686
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC NameN'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide
SMILESON/C(=N\c1ccc(Cl)cc1)c1cc2ccccc2cc1F
InChIInChI=1S/C17H12ClFN2O/c18-13-5-7-14(8-6-13)20-17(21-22)15-9-11-3-1-2-4-12(11)10-16(15)19/h1-10,22H,(H,20,21)
InChIKeyQOVWFEKGUCGCTI-UHFFFAOYSA-N
XLogP4.69
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide (CID 57414686) is N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide is ON/C(=N\c1ccc(Cl)cc1)c1cc2ccccc2cc1F.
What is the InChIKey of N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide?
The InChIKey is QOVWFEKGUCGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-13-5-7-14(8-6-13)20-17(21-22)15-9-11-3-1-2-4-12(11)10-16(15)19/h1-10,22H,(H,20,21).
What are the key properties of N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide?
N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide has a molecular weight of 314.75 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-3-fluoro-N-hydroxynaphthalene-2-carboximidamide is sourced from PubChem (CID 57414686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).