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

C14H17ClF2N2O2 — CID 169209371

IUPAC2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF2N2O2/c1-9-8-18-7-6-12(9)19-13(20)14(16,17)21-11-4-2-10(15)3-5-11/h2-5,9,12,18H,6-8H2,1H3,(H,19,20)/t9-,12-/m0/s1
InChIKeyWKDIMWAUYVXIED-CABZTGNLSA-N
MW318.75 g/mol
LogP2.43
Rot. Bonds4

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

2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide (PubChem CID 169209371) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
PubChem CID169209371
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Name2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF2N2O2/c1-9-8-18-7-6-12(9)19-13(20)14(16,17)21-11-4-2-10(15)3-5-11/h2-5,9,12,18H,6-8H2,1H3,(H,19,20)/t9-,12-/m0/s1
InChIKeyWKDIMWAUYVXIED-CABZTGNLSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
CID 17476178
1-[2-(4-Chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
US11045457, Example 216
CID 146401974
Propionamide, 2-(p-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-2-methyl-
CID 2184467
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
1-[2-(4-Chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide
CID 53350247
2-(4-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 835819
2-(4-chlorophenoxy)-N-(5-cyanocyclooctyl)-2-methylpropanamide
CID 44418457
2-(4-chlorophenoxy)-2-methyl-N-[(2S,3S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]butan-2-yl]propanamide
CID 71449130
2-(4-chlorophenoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 2145527

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide (CID 169209371) is 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide is C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The InChIKey is WKDIMWAUYVXIED-CABZTGNLSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c1-9-8-18-7-6-12(9)19-13(20)14(16,17)21-11-4-2-10(15)3-5-11/h2-5,9,12,18H,6-8H2,1H3,(H,19,20)/t9-,12-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide has a molecular weight of 318.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 169209371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).