N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide

C17H20F4N2O2 — CID 166314835

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide
SMILESCN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)C1COC2(CCC2)CN1
InChIInChI=1S/C17H20F4N2O2/c1-23(8-11-5-12(17(19,20)21)7-13(18)6-11)15(24)14-9-25-16(10-22-14)3-2-4-16/h5-7,14,22H,2-4,8-10H2,1H3
InChIKeyNDOZAVHDGPAKHL-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.71
Rot. Bonds3

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 166314835) has the molecular formula C17H20F4N2O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide
PubChem CID166314835
Molecular FormulaC17H20F4N2O2
Molecular Weight360.35 g/mol
Exact Mass360.15
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide
SMILESCN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)C1COC2(CCC2)CN1
InChIInChI=1S/C17H20F4N2O2/c1-23(8-11-5-12(17(19,20)21)7-13(18)6-11)15(24)14-9-25-16(10-22-14)3-2-4-16/h5-7,14,22H,2-4,8-10H2,1H3
InChIKeyNDOZAVHDGPAKHL-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
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(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
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N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 87734830
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-azaspiro[2.5]octane-6-carboxamide
CID 142832524
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
2-[cyclopropylmethyl-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 115351288
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119297056
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 87619241
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 57398783

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide (CID 166314835) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide is CN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)C1COC2(CCC2)CN1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is NDOZAVHDGPAKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O2/c1-23(8-11-5-12(17(19,20)21)7-13(18)6-11)15(24)14-9-25-16(10-22-14)3-2-4-16/h5-7,14,22H,2-4,8-10H2,1H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 360.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-5-oxa-8-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 166314835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).