N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

C16H19F3N2O — CID 118759854

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CC12CCNCC2
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-3-1-2-11(8-12)10-21-14(22)13-9-15(13)4-6-20-7-5-15/h1-3,8,13,20H,4-7,9-10H2,(H,21,22)
InChIKeyABSJLOCBKCLPSG-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 118759854) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID118759854
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CC12CCNCC2
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)12-3-1-2-11(8-12)10-21-14(22)13-9-15(13)4-6-20-7-5-15/h1-3,8,13,20H,4-7,9-10H2,(H,21,22)
InChIKeyABSJLOCBKCLPSG-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467432
N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 103872581
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42170363
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
CID 159609611
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 118759854) is N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1CC12CCNCC2.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ABSJLOCBKCLPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)12-3-1-2-11(8-12)10-21-14(22)13-9-15(13)4-6-20-7-5-15/h1-3,8,13,20H,4-7,9-10H2,(H,21,22).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 118759854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).