3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide

C18H28FNO — CID 176576865

IUPAC3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide
SMILESCCC(C)CC(CC(C)C)c1cccc(C(=O)NC)c1F
InChIInChI=1S/C18H28FNO/c1-6-13(4)11-14(10-12(2)3)15-8-7-9-16(17(15)19)18(21)20-5/h7-9,12-14H,6,10-11H2,1-5H3,(H,20,21)
InChIKeyNTRHWXPWHLIGEO-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.75
Rot. Bonds7

About 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide

3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide (PubChem CID 176576865) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide
PubChem CID176576865
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide
SMILESCCC(C)CC(CC(C)C)c1cccc(C(=O)NC)c1F
InChIInChI=1S/C18H28FNO/c1-6-13(4)11-14(10-12(2)3)15-8-7-9-16(17(15)19)18(21)20-5/h7-9,12-14H,6,10-11H2,1-5H3,(H,20,21)
InChIKeyNTRHWXPWHLIGEO-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide (CID 176576865) is 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide is CCC(C)CC(CC(C)C)c1cccc(C(=O)NC)c1F.
What is the InChIKey of 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide?
The InChIKey is NTRHWXPWHLIGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-6-13(4)11-14(10-12(2)3)15-8-7-9-16(17(15)19)18(21)20-5/h7-9,12-14H,6,10-11H2,1-5H3,(H,20,21).
What are the key properties of 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide?
3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide has a molecular weight of 293.43 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyloctan-4-yl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 176576865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).