3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide

C11H12FNO — CID 123323117

IUPAC3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(C)cc1F
InChIInChI=1S/C11H12FNO/c1-8-3-4-9(10(12)7-8)5-6-11(14)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyYSJSPWQAEWKZHE-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.89
Rot. Bonds2

About 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide

3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide (PubChem CID 123323117) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide
PubChem CID123323117
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(C)cc1F
InChIInChI=1S/C11H12FNO/c1-8-3-4-9(10(12)7-8)5-6-11(14)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyYSJSPWQAEWKZHE-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide (CID 123323117) is 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide is CNC(=O)C=Cc1ccc(C)cc1F.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide?
The InChIKey is YSJSPWQAEWKZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-3-4-9(10(12)7-8)5-6-11(14)13-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide?
3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide has a molecular weight of 193.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 123323117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).