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

C16H18F3NO3 — CID 122276365

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)23-12-3-1-2-11(10-12)14(21)20-13-4-5-15(13)6-8-22-9-7-15/h1-3,10,13H,4-9H2,(H,20,21)
InChIKeyHAVOUTDERVIRMI-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.27
Rot. Bonds3

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

N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 122276365) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
PubChem CID122276365
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)23-12-3-1-2-11(10-12)14(21)20-13-4-5-15(13)6-8-22-9-7-15/h1-3,10,13H,4-9H2,(H,20,21)
InChIKeyHAVOUTDERVIRMI-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
(4-aminooxan-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116604699
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
CID 133267398
4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276222
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276205

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide (CID 122276365) is N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide is O=C(NC1CCC12CCOCC2)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is HAVOUTDERVIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-16(18,19)23-12-3-1-2-11(10-12)14(21)20-13-4-5-15(13)6-8-22-9-7-15/h1-3,10,13H,4-9H2,(H,20,21).
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 329.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122276365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).