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

C16H20FNO3 — CID 122276396

IUPAC3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC23CCOCC3)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-13-3-2-11(10-12(13)17)15(19)18-14-4-5-16(14)6-8-21-9-7-16/h2-3,10,14H,4-9H2,1H3,(H,18,19)
InChIKeyUIHNDYKHEPJOBB-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.52
Rot. Bonds3

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

3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (PubChem CID 122276396) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
PubChem CID122276396
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCC23CCOCC3)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-13-3-2-11(10-12(13)17)15(19)18-14-4-5-16(14)6-8-21-9-7-16/h2-3,10,14H,4-9H2,1H3,(H,18,19)
InChIKeyUIHNDYKHEPJOBB-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276326
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide
CID 154847776
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
CID 122276365
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (CID 122276396) is 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is COc1ccc(C(=O)NC2CCC23CCOCC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The InChIKey is UIHNDYKHEPJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-13-3-2-11(10-12(13)17)15(19)18-14-4-5-16(14)6-8-21-9-7-16/h2-3,10,14H,4-9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide has a molecular weight of 293.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is sourced from PubChem (CID 122276396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).