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

C23H26ClFN2O2 — CID 45181407

IUPACN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H26ClFN2O2/c24-20-14-18(6-7-21(20)25)22(28)26-15-19-8-9-23(29-19)10-12-27(13-11-23)16-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,28)
InChIKeyDMWKPHIXISIQBH-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.42
Rot. Bonds5

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

N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide (PubChem CID 45181407) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide
PubChem CID45181407
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC NameN-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H26ClFN2O2/c24-20-14-18(6-7-21(20)25)22(28)26-15-19-8-9-23(29-19)10-12-27(13-11-23)16-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,28)
InChIKeyDMWKPHIXISIQBH-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-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide (CID 45181407) is N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide is O=C(NCC1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide?
The InChIKey is DMWKPHIXISIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c24-20-14-18(6-7-21(20)25)22(28)26-15-19-8-9-23(29-19)10-12-27(13-11-23)16-17-4-2-1-3-5-17/h1-7,14,19H,8-13,15-16H2,(H,26,28).
What are the key properties of N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide?
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-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-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 45181407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).