N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide

C15H15FN2 — CID 154719194

IUPACN'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1cc(C)ccc1F)Nc1ccccc1
InChIInChI=1S/C15H15FN2/c1-11-8-9-14(16)15(10-11)18-12(2)17-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18)
InChIKeyKTKVSGWUIIRQCV-UHFFFAOYSA-N
MW242.30 g/mol
LogP4.30
Rot. Bonds2

About N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide

N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide (PubChem CID 154719194) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide
PubChem CID154719194
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1cc(C)ccc1F)Nc1ccccc1
InChIInChI=1S/C15H15FN2/c1-11-8-9-14(16)15(10-11)18-12(2)17-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18)
InChIKeyKTKVSGWUIIRQCV-UHFFFAOYSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-5-methylphenyl)-N-phenylethanimidamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide (CID 154719194) is N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide is C/C(=N\c1cc(C)ccc1F)Nc1ccccc1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide?
The InChIKey is KTKVSGWUIIRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-11-8-9-14(16)15(10-11)18-12(2)17-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide?
N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide has a molecular weight of 242.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-N-phenylethanimidamide is sourced from PubChem (CID 154719194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).