2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C25H29F3N2O2 — CID 26320216

IUPAC2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C25H29F3N2O2/c26-22-8-2-1-5-19(22)16-29-12-10-18(11-13-29)15-30(17-20-6-4-14-32-20)25(31)21-7-3-9-23(27)24(21)28/h1-3,5,7-9,18,20H,4,6,10-17H2/t20-/m1/s1
InChIKeyCDNHDODPOUJJFT-HXUWFJFHSA-N
MW446.51 g/mol
LogP4.64
Rot. Bonds7

About 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 26320216) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID26320216
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Name2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C25H29F3N2O2/c26-22-8-2-1-5-19(22)16-29-12-10-18(11-13-29)15-30(17-20-6-4-14-32-20)25(31)21-7-3-9-23(27)24(21)28/h1-3,5,7-9,18,20H,4,6,10-17H2/t20-/m1/s1
InChIKeyCDNHDODPOUJJFT-HXUWFJFHSA-N
XLogP4.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 26320216) is 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(c1cccc(F)c1F)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1.
What is the InChIKey of 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is CDNHDODPOUJJFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c26-22-8-2-1-5-19(22)16-29-12-10-18(11-13-29)15-30(17-20-6-4-14-32-20)25(31)21-7-3-9-23(27)24(21)28/h1-3,5,7-9,18,20H,4,6,10-17H2/t20-/m1/s1.
What are the key properties of 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 26320216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).