2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide

C15H19ClF2N2O2 — CID 172895341

IUPAC2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CNCCC1(F)F
InChIInChI=1S/C15H19ClF2N2O2/c1-14(2,22-11-5-3-10(16)4-6-11)13(21)20-12-9-19-8-7-15(12,17)18/h3-6,12,19H,7-9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyALDIFYZXZBLCMT-GFCCVEGCSA-N
MW332.78 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide (PubChem CID 172895341) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide
PubChem CID172895341
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Name2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CNCCC1(F)F
InChIInChI=1S/C15H19ClF2N2O2/c1-14(2,22-11-5-3-10(16)4-6-11)13(21)20-12-9-19-8-7-15(12,17)18/h3-6,12,19H,7-9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyALDIFYZXZBLCMT-GFCCVEGCSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide (CID 172895341) is 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CNCCC1(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide?
The InChIKey is ALDIFYZXZBLCMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClF2N2O2/c1-14(2,22-11-5-3-10(16)4-6-11)13(21)20-12-9-19-8-7-15(12,17)18/h3-6,12,19H,7-9H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide has a molecular weight of 332.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 172895341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).