2-tert-butyl-6-fluoro-N-methylbenzamide

C12H16FNO — CID 71273490

IUPAC2-tert-butyl-6-fluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1C(C)(C)C
InChIInChI=1S/C12H16FNO/c1-12(2,3)8-6-5-7-9(13)10(8)11(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyGJLKJBBVHKUINF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds1

About 2-tert-butyl-6-fluoro-N-methylbenzamide

2-tert-butyl-6-fluoro-N-methylbenzamide (PubChem CID 71273490) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-tert-butyl-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-tert-butyl-6-fluoro-N-methylbenzamide
PubChem CID71273490
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-tert-butyl-6-fluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cccc1C(C)(C)C
InChIInChI=1S/C12H16FNO/c1-12(2,3)8-6-5-7-9(13)10(8)11(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyGJLKJBBVHKUINF-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-tert-butyl-6-fluoro-N-methylbenzamide (CID 71273490) is 2-tert-butyl-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-tert-butyl-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-tert-butyl-6-fluoro-N-methylbenzamide is CNC(=O)c1c(F)cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-fluoro-N-methylbenzamide?
The InChIKey is GJLKJBBVHKUINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(2,3)8-6-5-7-9(13)10(8)11(15)14-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-6-fluoro-N-methylbenzamide?
2-tert-butyl-6-fluoro-N-methylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 71273490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).