N-cycloheptyl-2-fluoro-3-methylbenzamide

C15H20FNO — CID 80719060

IUPACN-cycloheptyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCCC2)c1F
InChIInChI=1S/C15H20FNO/c1-11-7-6-10-13(14(11)16)15(18)17-12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyGQTACWZVMRXTSM-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.59
Rot. Bonds2

About N-cycloheptyl-2-fluoro-3-methylbenzamide

N-cycloheptyl-2-fluoro-3-methylbenzamide (PubChem CID 80719060) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-cycloheptyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-2-fluoro-3-methylbenzamide
PubChem CID80719060
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCCC2)c1F
InChIInChI=1S/C15H20FNO/c1-11-7-6-10-13(14(11)16)15(18)17-12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyGQTACWZVMRXTSM-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-cycloheptyl-2-fluoro-3-methylbenzamide (CID 80719060) is N-cycloheptyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-cycloheptyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-cycloheptyl-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCCCC2)c1F.
What is the InChIKey of N-cycloheptyl-2-fluoro-3-methylbenzamide?
The InChIKey is GQTACWZVMRXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-7-6-10-13(14(11)16)15(18)17-12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-fluoro-3-methylbenzamide?
N-cycloheptyl-2-fluoro-3-methylbenzamide has a molecular weight of 249.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80719060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).