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

C18H26ClFN2O2 — CID 46943263

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide
SMILESCCC(C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C18H26ClFN2O2/c1-3-13(2)10-22-8-4-5-14(11-22)21-18(23)12-24-15-6-7-17(20)16(19)9-15/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3,(H,21,23)/t13?,14-/m0/s1
InChIKeyAJXYJYOVDYRVNK-KZUDCZAMSA-N
MW356.87 g/mol
LogP3.48
Rot. Bonds7

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

2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide (PubChem CID 46943263) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide
PubChem CID46943263
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide
SMILESCCC(C)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C18H26ClFN2O2/c1-3-13(2)10-22-8-4-5-14(11-22)21-18(23)12-24-15-6-7-17(20)16(19)9-15/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3,(H,21,23)/t13?,14-/m0/s1
InChIKeyAJXYJYOVDYRVNK-KZUDCZAMSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 53.48
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-methylbutyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide (CID 46943263) is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide is CCC(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-methylbutyl)piperidin-3-yl]acetamide?
The InChIKey is AJXYJYOVDYRVNK-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H26ClFN2O2/c1-3-13(2)10-22-8-4-5-14(11-22)21-18(23)12-24-15-6-7-17(20)16(19)9-15/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3,(H,21,23)/t13?,14-/m0/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide has a molecular weight of 356.87 g/mol, XLogP of 3.48, 7 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-methylbutyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 46943263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).