3-tert-butyl-2-fluoro-6-methylbenzamide

C12H16FNO — CID 122604245

IUPAC3-tert-butyl-2-fluoro-6-methylbenzamide
SMILESCc1ccc(C(C)(C)C)c(F)c1C(N)=O
InChIInChI=1S/C12H16FNO/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6H,1-4H3,(H2,14,15)
InChIKeySMWFIPJAMVZFFW-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.53
Rot. Bonds1

About 3-tert-butyl-2-fluoro-6-methylbenzamide

3-tert-butyl-2-fluoro-6-methylbenzamide (PubChem CID 122604245) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-tert-butyl-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-2-fluoro-6-methylbenzamide
PubChem CID122604245
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-tert-butyl-2-fluoro-6-methylbenzamide
SMILESCc1ccc(C(C)(C)C)c(F)c1C(N)=O
InChIInChI=1S/C12H16FNO/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6H,1-4H3,(H2,14,15)
InChIKeySMWFIPJAMVZFFW-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-methyl-3-methylsulfonylbenzamide
CID 123693486
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
3-fluoro-2,4-dimethylbenzamide
CID 119006165
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
2-methyl-2-(2,3,4-trimethylphenyl)propanamide
CID 139899839
methyl 5-tert-butyl-2-fluoro-6-hydroxy-3-methylbenzoate
CID 144982428
3-(2-bromo-3-fluoro-4-methylphenyl)-3-methylbutanoic acid
CID 117466912
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-tert-butyl-2-fluoro-6-methylbenzamide (CID 122604245) is 3-tert-butyl-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-tert-butyl-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-tert-butyl-2-fluoro-6-methylbenzamide is Cc1ccc(C(C)(C)C)c(F)c1C(N)=O.
What is the InChIKey of 3-tert-butyl-2-fluoro-6-methylbenzamide?
The InChIKey is SMWFIPJAMVZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6H,1-4H3,(H2,14,15).
What are the key properties of 3-tert-butyl-2-fluoro-6-methylbenzamide?
3-tert-butyl-2-fluoro-6-methylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 122604245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).