N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide

C22H22FN3O — CID 118242935

IUPACN'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide
SMILESCOCCNc1ccccc1-c1ccccc1/C(N)=N/c1ccccc1F
InChIInChI=1S/C22H22FN3O/c1-27-15-14-25-20-12-6-4-9-17(20)16-8-2-3-10-18(16)22(24)26-21-13-7-5-11-19(21)23/h2-13,25H,14-15H2,1H3,(H2,24,26)
InChIKeyOKABLNVCWBJICG-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.59
Rot. Bonds7

About N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide

N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide (PubChem CID 118242935) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide
PubChem CID118242935
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide
SMILESCOCCNc1ccccc1-c1ccccc1/C(N)=N/c1ccccc1F
InChIInChI=1S/C22H22FN3O/c1-27-15-14-25-20-12-6-4-9-17(20)16-8-2-3-10-18(16)22(24)26-21-13-7-5-11-19(21)23/h2-13,25H,14-15H2,1H3,(H2,24,26)
InChIKeyOKABLNVCWBJICG-UHFFFAOYSA-N
XLogP4.59
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide?
The IUPAC name of N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide (CID 118242935) is N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide is COCCNc1ccccc1-c1ccccc1/C(N)=N/c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide?
The InChIKey is OKABLNVCWBJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-27-15-14-25-20-12-6-4-9-17(20)16-8-2-3-10-18(16)22(24)26-21-13-7-5-11-19(21)23/h2-13,25H,14-15H2,1H3,(H2,24,26).
What are the key properties of N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide?
N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide has a molecular weight of 363.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-2-[2-(2-methoxyethylamino)phenyl]benzenecarboximidamide is sourced from PubChem (CID 118242935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).