N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide

C14H15Cl2F2N3O2 — CID 162721683

IUPACN-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2F2N3O2/c1-8(22)19-6-9-4-5-14(17,18)7-21(9)13(23)12-10(15)2-3-11(16)20-12/h2-3,9H,4-7H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyCUVNOTVHGGEWOB-SECBINFHSA-N
MW366.20 g/mol
LogP2.76
Rot. Bonds3

About N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide

N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide (PubChem CID 162721683) has the molecular formula C14H15Cl2F2N3O2 and a molecular weight of 366.20 g/mol. Its IUPAC name is N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide
PubChem CID162721683
Molecular FormulaC14H15Cl2F2N3O2
Molecular Weight366.20 g/mol
Exact Mass365.05
IUPAC NameN-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2F2N3O2/c1-8(22)19-6-9-4-5-14(17,18)7-21(9)13(23)12-10(15)2-3-11(16)20-12/h2-3,9H,4-7H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyCUVNOTVHGGEWOB-SECBINFHSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide (CID 162721683) is N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CCC(F)(F)CN1C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide?
The InChIKey is CUVNOTVHGGEWOB-SECBINFHSA-N. The full InChI is InChI=1S/C14H15Cl2F2N3O2/c1-8(22)19-6-9-4-5-14(17,18)7-21(9)13(23)12-10(15)2-3-11(16)20-12/h2-3,9H,4-7H2,1H3,(H,19,22)/t9-/m1/s1.
What are the key properties of N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide?
N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide has a molecular weight of 366.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 162721683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).