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

C19H28ClFN2O2 — CID 46943260

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide
SMILESCCC(CC)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H28ClFN2O2/c1-3-14(4-2)11-23-9-5-6-15(12-23)22-19(24)13-25-16-7-8-18(21)17(20)10-16/h7-8,10,14-15H,3-6,9,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyDOJPIXGZWICHNA-HNNXBMFYSA-N
MW370.90 g/mol
LogP3.87
Rot. Bonds8

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

2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide (PubChem CID 46943260) has the molecular formula C19H28ClFN2O2 and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide
PubChem CID46943260
Molecular FormulaC19H28ClFN2O2
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide
SMILESCCC(CC)CN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C19H28ClFN2O2/c1-3-14(4-2)11-23-9-5-6-15(12-23)22-19(24)13-25-16-7-8-18(21)17(20)10-16/h7-8,10,14-15H,3-6,9,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyDOJPIXGZWICHNA-HNNXBMFYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.87
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-ethylbutyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide (CID 46943260) is 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide is CCC(CC)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-ethylbutyl)piperidin-3-yl]acetamide?
The InChIKey is DOJPIXGZWICHNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28ClFN2O2/c1-3-14(4-2)11-23-9-5-6-15(12-23)22-19(24)13-25-16-7-8-18(21)17(20)10-16/h7-8,10,14-15H,3-6,9,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide has a molecular weight of 370.90 g/mol, XLogP of 3.87, 8 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-ethylbutyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 46943260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).