2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide

C17H24ClFN2O2 — CID 46943259

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide
SMILESCC(C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C17H24ClFN2O2/c1-12(2)9-21-7-3-4-13(10-21)20-17(22)11-23-14-5-6-16(19)15(18)8-14/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyKDPWOKGFVBNNNP-ZDUSSCGKSA-N
MW342.84 g/mol
LogP3.09
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide (PubChem CID 46943259) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide
PubChem CID46943259
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide
SMILESCC(C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C17H24ClFN2O2/c1-12(2)9-21-7-3-4-13(10-21)20-17(22)11-23-14-5-6-16(19)15(18)8-14/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyKDPWOKGFVBNNNP-ZDUSSCGKSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide (CID 46943259) is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide is CC(C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide?
The InChIKey is KDPWOKGFVBNNNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-12(2)9-21-7-3-4-13(10-21)20-17(22)11-23-14-5-6-16(19)15(18)8-14/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide has a molecular weight of 342.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 46943259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).