2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C15H20FNO — CID 80711420

IUPAC2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCc1cccc(C(=O)NC2C(C)(C)C2(C)C)c1F
InChIInChI=1S/C15H20FNO/c1-9-7-6-8-10(11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,1-5H3,(H,17,18)
InChIKeyKVJYYRJZKRLPIB-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.30
Rot. Bonds2

About 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 80711420) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID80711420
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCc1cccc(C(=O)NC2C(C)(C)C2(C)C)c1F
InChIInChI=1S/C15H20FNO/c1-9-7-6-8-10(11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,1-5H3,(H,17,18)
InChIKeyKVJYYRJZKRLPIB-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 80711420) is 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is Cc1cccc(C(=O)NC2C(C)(C)C2(C)C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is KVJYYRJZKRLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9-7-6-8-10(11(9)16)12(18)17-13-14(2,3)15(13,4)5/h6-8,13H,1-5H3,(H,17,18).
What are the key properties of 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 249.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 80711420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).