2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide

C11H12FNO — CID 177031736

IUPAC2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1cc(C)c(C(N)=O)c(F)c1
InChIInChI=1S/C11H12FNO/c1-6(2)8-4-7(3)10(11(13)14)9(12)5-8/h4-5H,1H2,2-3H3,(H2,13,14)
InChIKeyKZHZUTDHBOASRG-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.27
Rot. Bonds2

About 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide

2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide (PubChem CID 177031736) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
PubChem CID177031736
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1cc(C)c(C(N)=O)c(F)c1
InChIInChI=1S/C11H12FNO/c1-6(2)8-4-7(3)10(11(13)14)9(12)5-8/h4-5H,1H2,2-3H3,(H2,13,14)
InChIKeyKZHZUTDHBOASRG-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
CID 170266078
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365207
4-chloro-2,6-difluorobenzamide
CID 22478130
4-chloro-3,6-difluoro-2-methylbenzamide
CID 177366314
1-(4-fluoro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 79189923
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
4-fluoro-2-methoxy-6-methylbenzamide
CID 69408155
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide?
The IUPAC name of 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide (CID 177031736) is 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide?
The canonical SMILES for 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide is C=C(C)c1cc(C)c(C(N)=O)c(F)c1.
What is the InChIKey of 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide?
The InChIKey is KZHZUTDHBOASRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6(2)8-4-7(3)10(11(13)14)9(12)5-8/h4-5H,1H2,2-3H3,(H2,13,14).
What are the key properties of 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide?
2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide has a molecular weight of 193.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 177031736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).