N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C20H23F3N2O2 — CID 99808104

IUPACN-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-5-15(6-8-16)18(27)24-13-17(26)25-12-4-11-19(14-25)9-2-1-3-10-19/h1-2,5-8H,3-4,9-14H2,(H,24,27)/t19-/m1/s1
InChIKeyTVSWLXBHQQVLMT-LJQANCHMSA-N
MW380.41 g/mol
LogP3.78
Rot. Bonds3

About N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 99808104) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID99808104
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-5-15(6-8-16)18(27)24-13-17(26)25-12-4-11-19(14-25)9-2-1-3-10-19/h1-2,5-8H,3-4,9-14H2,(H,24,27)/t19-/m1/s1
InChIKeyTVSWLXBHQQVLMT-LJQANCHMSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119624595
N-[(4-hydroxyphenyl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
CID 127322685
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86969180
1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylsulfonylpropan-1-one
CID 95627824
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 59764809
N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110907156
[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 99808104) is N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is O=C(NCC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is TVSWLXBHQQVLMT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-5-15(6-8-16)18(27)24-13-17(26)25-12-4-11-19(14-25)9-2-1-3-10-19/h1-2,5-8H,3-4,9-14H2,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 380.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 99808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).