N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide

C23H26ClFN2O2 — CID 45176848

IUPACN-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1
InChIInChI=1S/C23H26ClFN2O2/c24-19-6-4-17(5-7-19)16-27-12-10-23(11-13-27)9-8-21(29-23)15-26-22(28)18-2-1-3-20(25)14-18/h1-7,14,21H,8-13,15-16H2,(H,26,28)
InChIKeyUTPVINSVUHNUEY-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.42
Rot. Bonds5

About N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide

N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide (PubChem CID 45176848) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide
PubChem CID45176848
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC NameN-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1
InChIInChI=1S/C23H26ClFN2O2/c24-19-6-4-17(5-7-19)16-27-12-10-23(11-13-27)9-8-21(29-23)15-26-22(28)18-2-1-3-20(25)14-18/h1-7,14,21H,8-13,15-16H2,(H,26,28)
InChIKeyUTPVINSVUHNUEY-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide (CID 45176848) is N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide is O=C(NCC1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)O1)c1cccc(F)c1.
What is the InChIKey of N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is UTPVINSVUHNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c24-19-6-4-17(5-7-19)16-27-12-10-23(11-13-27)9-8-21(29-23)15-26-22(28)18-2-1-3-20(25)14-18/h1-7,14,21H,8-13,15-16H2,(H,26,28).
What are the key properties of N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide?
N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 416.92 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 45176848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).