3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide

C19H27Cl2FN2O2 — CID 69300379

IUPAC3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
SMILESCC(C)(CF)[C@H](O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H27Cl2FN2O2/c1-19(2,12-22)17(25)11-24-5-3-13(4-6-24)10-23-18(26)14-7-15(20)9-16(21)8-14/h7-9,13,17,25H,3-6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyGAAQZBBUIDYLGX-QGZVFWFLSA-N
MW405.34 g/mol
LogP3.79
Rot. Bonds7

About 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide (PubChem CID 69300379) has the molecular formula C19H27Cl2FN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
PubChem CID69300379
Molecular FormulaC19H27Cl2FN2O2
Molecular Weight405.34 g/mol
Exact Mass404.14
IUPAC Name3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide
SMILESCC(C)(CF)[C@H](O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H27Cl2FN2O2/c1-19(2,12-22)17(25)11-24-5-3-13(4-6-24)10-23-18(26)14-7-15(20)9-16(21)8-14/h7-9,13,17,25H,3-6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyGAAQZBBUIDYLGX-QGZVFWFLSA-N
XLogP3.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide (CID 69300379) is 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide is CC(C)(CF)[C@H](O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is GAAQZBBUIDYLGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27Cl2FN2O2/c1-19(2,12-22)17(25)11-24-5-3-13(4-6-24)10-23-18(26)14-7-15(20)9-16(21)8-14/h7-9,13,17,25H,3-6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 405.34 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-[(2S)-4-fluoro-2-hydroxy-3,3-dimethylbutyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 69300379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).