N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide

C15H18FNO — CID 80710467

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC3CCC2C3)c1F
InChIInChI=1S/C15H18FNO/c1-9-3-2-4-12(14(9)16)15(18)17-13-8-10-5-6-11(13)7-10/h2-4,10-11,13H,5-8H2,1H3,(H,17,18)
InChIKeyQMANXKLJXVFASG-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.05
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide

N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide (PubChem CID 80710467) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
PubChem CID80710467
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC3CCC2C3)c1F
InChIInChI=1S/C15H18FNO/c1-9-3-2-4-12(14(9)16)15(18)17-13-8-10-5-6-11(13)7-10/h2-4,10-11,13H,5-8H2,1H3,(H,17,18)
InChIKeyQMANXKLJXVFASG-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methyl-3-nitrobenzamide
CID 6952825
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81480968

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide (CID 80710467) is N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CC3CCC2C3)c1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide?
The InChIKey is QMANXKLJXVFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-3-2-4-12(14(9)16)15(18)17-13-8-10-5-6-11(13)7-10/h2-4,10-11,13H,5-8H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide has a molecular weight of 247.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).