4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

C15H18FNO2 — CID 122276126

IUPAC4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-12-3-1-11(2-4-12)14(18)17-13-5-6-15(13)7-9-19-10-8-15/h1-4,13H,5-10H2,(H,17,18)
InChIKeyGRFFLKHUTMOYAH-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.51
Rot. Bonds2

About 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (PubChem CID 122276126) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
PubChem CID122276126
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-12-3-1-11(2-4-12)14(18)17-13-5-6-15(13)7-9-19-10-8-15/h1-4,13H,5-10H2,(H,17,18)
InChIKeyGRFFLKHUTMOYAH-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276326
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276222
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
CID 122276365
5-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)pyridine-3-carboxamide
CID 122276286
5-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide
CID 122276318
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
CID 122276201
N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 136565131
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
CID 122276409
2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
CID 122276388

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (CID 122276126) is 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is O=C(NC1CCC12CCOCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The InChIKey is GRFFLKHUTMOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-3-1-11(2-4-12)14(18)17-13-5-6-15(13)7-9-19-10-8-15/h1-4,13H,5-10H2,(H,17,18).
What are the key properties of 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide has a molecular weight of 263.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is sourced from PubChem (CID 122276126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).