2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide

C17H18FNOS — CID 131934666

IUPAC2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F
InChIInChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3
InChIKeyMTKZDCIOOFCLEP-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.33
Rot. Bonds5

About 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide

2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide (PubChem CID 131934666) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
PubChem CID131934666
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F
InChIInChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3
InChIKeyMTKZDCIOOFCLEP-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide (CID 131934666) is 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F.
What is the InChIKey of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The InChIKey is MTKZDCIOOFCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 131934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).