N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide

C16H21FN2O — CID 81477428

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCNC3(CCC3)C2)c1F
InChIInChI=1S/C16H21FN2O/c1-11-4-2-5-13(14(11)17)15(20)19-12-6-9-18-16(10-12)7-3-8-16/h2,4-5,12,18H,3,6-10H2,1H3,(H,19,20)
InChIKeyRFJPZWIPPVHXAZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.54
Rot. Bonds2

About N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide

N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide (PubChem CID 81477428) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
PubChem CID81477428
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCNC3(CCC3)C2)c1F
InChIInChI=1S/C16H21FN2O/c1-11-4-2-5-13(14(11)17)15(20)19-12-6-9-18-16(10-12)7-3-8-16/h2,4-5,12,18H,3,6-10H2,1H3,(H,19,20)
InChIKeyRFJPZWIPPVHXAZ-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-(5-azaspiro[3.5]nonan-8-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 43595235
N-(5-azaspiro[3.5]nonan-8-yl)-1H-indole-4-carboxamide
CID 43595331
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
CID 43595183
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-(5-azaspiro[3.5]nonan-8-yl)-3,5-difluorobenzamide
CID 43595353
N-(5-azaspiro[3.5]nonan-8-yl)-5-methylfuran-2-carboxamide
CID 43595224
N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
CID 43595670
N-(5-azaspiro[3.5]nonan-8-yl)-2-chlorofuran-3-carboxamide
CID 106688425
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide (CID 81477428) is N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCNC3(CCC3)C2)c1F.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is RFJPZWIPPVHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-4-2-5-13(14(11)17)15(20)19-12-6-9-18-16(10-12)7-3-8-16/h2,4-5,12,18H,3,6-10H2,1H3,(H,19,20).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide?
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 276.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81477428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).