N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

C23H24F4N2O3 — CID 155874837

IUPACN-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2
InChIInChI=1S/C23H24F4N2O3/c24-19-6-4-16(5-7-19)12-28-21(30)20-11-22(15-31-20)14-29(8-9-32-22)13-17-2-1-3-18(10-17)23(25,26)27/h1-7,10,20H,8-9,11-15H2,(H,28,30)
InChIKeyGTKJMBFCFQPDIB-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 155874837) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID155874837
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC NameN-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2
InChIInChI=1S/C23H24F4N2O3/c24-19-6-4-16(5-7-19)12-28-21(30)20-11-22(15-31-20)14-29(8-9-32-22)13-17-2-1-3-18(10-17)23(25,26)27/h1-7,10,20H,8-9,11-15H2,(H,28,30)
InChIKeyGTKJMBFCFQPDIB-UHFFFAOYSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
CID 155880232
N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131682721
N-(1,2-oxazol-3-ylmethyl)-9-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131682697
4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 142821645
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 68509262
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42789788
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
2-(2-methylpropyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868091

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (CID 155874837) is N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is GTKJMBFCFQPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c24-19-6-4-16(5-7-19)12-28-21(30)20-11-22(15-31-20)14-29(8-9-32-22)13-17-2-1-3-18(10-17)23(25,26)27/h1-7,10,20H,8-9,11-15H2,(H,28,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 452.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-[[3-(trifluoromethyl)phenyl]methyl]-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 155874837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).