N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide

C18H23F2NO2 — CID 154845668

IUPACN-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)NC1CC12CCC(F)(F)CC2)c1ccccc1
InChIInChI=1S/C18H23F2NO2/c1-2-18(23,13-6-4-3-5-7-13)15(22)21-14-12-16(14)8-10-17(19,20)11-9-16/h3-7,14,23H,2,8-12H2,1H3,(H,21,22)
InChIKeyOKOVCPAZQMTVCB-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.37
Rot. Bonds4

About N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide

N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide (PubChem CID 154845668) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide.

Molecular Properties

Compound NameN-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide
PubChem CID154845668
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC NameN-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)NC1CC12CCC(F)(F)CC2)c1ccccc1
InChIInChI=1S/C18H23F2NO2/c1-2-18(23,13-6-4-3-5-7-13)15(22)21-14-12-16(14)8-10-17(19,20)11-9-16/h3-7,14,23H,2,8-12H2,1H3,(H,21,22)
InChIKeyOKOVCPAZQMTVCB-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide?
The IUPAC name of N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide (CID 154845668) is N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide.
What is the SMILES notation for N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide?
The canonical SMILES for N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide is CCC(O)(C(=O)NC1CC12CCC(F)(F)CC2)c1ccccc1.
What is the InChIKey of N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide?
The InChIKey is OKOVCPAZQMTVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO2/c1-2-18(23,13-6-4-3-5-7-13)15(22)21-14-12-16(14)8-10-17(19,20)11-9-16/h3-7,14,23H,2,8-12H2,1H3,(H,21,22).
What are the key properties of N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide?
N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide has a molecular weight of 323.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-difluorospiro[2.5]octan-2-yl)-2-hydroxy-2-phenylbutanamide is sourced from PubChem (CID 154845668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).