2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide

C13H14Cl2N2O2 — CID 154844464

IUPAC2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide
SMILESO=C1CCC[C@H](CNC(=O)c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C13H14Cl2N2O2/c14-9-4-2-5-10(15)12(9)13(19)16-7-8-3-1-6-11(18)17-8/h2,4-5,8H,1,3,6-7H2,(H,16,19)(H,17,18)/t8-/m1/s1
InChIKeyJPNKAWLDVJRKJQ-MRVPVSSYSA-N
MW301.17 g/mol
LogP2.39
Rot. Bonds3

About 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide

2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide (PubChem CID 154844464) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide
PubChem CID154844464
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide
SMILESO=C1CCC[C@H](CNC(=O)c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C13H14Cl2N2O2/c14-9-4-2-5-10(15)12(9)13(19)16-7-8-3-1-6-11(18)17-8/h2,4-5,8H,1,3,6-7H2,(H,16,19)(H,17,18)/t8-/m1/s1
InChIKeyJPNKAWLDVJRKJQ-MRVPVSSYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide (CID 154844464) is 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide is O=C1CCC[C@H](CNC(=O)c2c(Cl)cccc2Cl)N1.
What is the InChIKey of 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide?
The InChIKey is JPNKAWLDVJRKJQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-9-4-2-5-10(15)12(9)13(19)16-7-8-3-1-6-11(18)17-8/h2,4-5,8H,1,3,6-7H2,(H,16,19)(H,17,18)/t8-/m1/s1.
What are the key properties of 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide?
2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide has a molecular weight of 301.17 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 2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 154844464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).