N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide

C18H21F3N2O2 — CID 71836675

IUPACN-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CCCC2
InChIInChI=1S/C18H21F3N2O2/c1-22-15(24)14-10-23(11-17(14)8-4-5-9-17)16(25)12-6-2-3-7-13(12)18(19,20)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,22,24)
InChIKeyCFXWAHWBEMEZPW-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.08
Rot. Bonds2

About N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide

N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 71836675) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID71836675
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CCCC2
InChIInChI=1S/C18H21F3N2O2/c1-22-15(24)14-10-23(11-17(14)8-4-5-9-17)16(25)12-6-2-3-7-13(12)18(19,20)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,22,24)
InChIKeyCFXWAHWBEMEZPW-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138384123
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
1-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 136549485
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide (CID 71836675) is N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CCCC2.
What is the InChIKey of N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is CFXWAHWBEMEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-22-15(24)14-10-23(11-17(14)8-4-5-9-17)16(25)12-6-2-3-7-13(12)18(19,20)21/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,22,24).
What are the key properties of N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide?
N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 71836675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).