N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide

C15H18BrFN2O — CID 164637593

IUPACN-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1Br)N[C@H]1CC12CCNCC2
InChIInChI=1S/C15H18BrFN2O/c16-12-2-1-11(17)7-10(12)8-14(20)19-13-9-15(13)3-5-18-6-4-15/h1-2,7,13,18H,3-6,8-9H2,(H,19,20)/t13-/m0/s1
InChIKeyNXISEUXDVSEZCE-ZDUSSCGKSA-N
MW341.22 g/mol
LogP2.39
Rot. Bonds3

About N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide

N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide (PubChem CID 164637593) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide
PubChem CID164637593
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC NameN-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide
SMILESO=C(Cc1cc(F)ccc1Br)N[C@H]1CC12CCNCC2
InChIInChI=1S/C15H18BrFN2O/c16-12-2-1-11(17)7-10(12)8-14(20)19-13-9-15(13)3-5-18-6-4-15/h1-2,7,13,18H,3-6,8-9H2,(H,19,20)/t13-/m0/s1
InChIKeyNXISEUXDVSEZCE-ZDUSSCGKSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide (CID 164637593) is N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide is O=C(Cc1cc(F)ccc1Br)N[C@H]1CC12CCNCC2.
What is the InChIKey of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide?
The InChIKey is NXISEUXDVSEZCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c16-12-2-1-11(17)7-10(12)8-14(20)19-13-9-15(13)3-5-18-6-4-15/h1-2,7,13,18H,3-6,8-9H2,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide?
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide has a molecular weight of 341.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-(2-bromo-5-fluorophenyl)acetamide is sourced from PubChem (CID 164637593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).