3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide

C15H19ClF2N2O2 — CID 146401974

IUPAC3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ccccc1Cl
InChIInChI=1S/C15H19ClF2N2O2/c1-10-8-19-7-6-12(10)20-14(21)15(17,18)9-22-13-5-3-2-4-11(13)16/h2-5,10,12,19H,6-9H2,1H3,(H,20,21)/t10-,12-/m0/s1
InChIKeyHVDRHURKCUVBQF-JQWIXIFHSA-N
MW332.78 g/mol
LogP2.47
Rot. Bonds5

About 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide

3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (PubChem CID 146401974) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
PubChem CID146401974
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Name3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ccccc1Cl
InChIInChI=1S/C15H19ClF2N2O2/c1-10-8-19-7-6-12(10)20-14(21)15(17,18)9-22-13-5-3-2-4-11(13)16/h2-5,10,12,19H,6-9H2,1H3,(H,20,21)/t10-,12-/m0/s1
InChIKeyHVDRHURKCUVBQF-JQWIXIFHSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (CID 146401974) is 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The InChIKey is HVDRHURKCUVBQF-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H19ClF2N2O2/c1-10-8-19-7-6-12(10)20-14(21)15(17,18)9-22-13-5-3-2-4-11(13)16/h2-5,10,12,19H,6-9H2,1H3,(H,20,21)/t10-,12-/m0/s1.
What are the key properties of 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide has a molecular weight of 332.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is sourced from PubChem (CID 146401974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).