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

C13H16ClFN2O2 — CID 156678558

IUPACN-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCNC(Oc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H16ClFN2O2/c1-8(18)17-9-4-5-16-13(6-9)19-10-2-3-11(14)12(15)7-10/h2-3,7,9,13,16H,4-6H2,1H3,(H,17,18)
InChIKeyWSKLHMAGZKWJAI-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.07
Rot. Bonds3

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

N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide (PubChem CID 156678558) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide
PubChem CID156678558
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCNC(Oc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H16ClFN2O2/c1-8(18)17-9-4-5-16-13(6-9)19-10-2-3-11(14)12(15)7-10/h2-3,7,9,13,16H,4-6H2,1H3,(H,17,18)
InChIKeyWSKLHMAGZKWJAI-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
(2S)-N-[(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chloro-3-fluorophenoxy)-3,3-dimethylbutanamide
CID 156678562
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600845
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193
(4-chloro-3-fluorophenyl) carbonochloridate
CID 82717639
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
4-(acetamidomethyl)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]piperidine-2-carboxamide
CID 142586348
N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
CID 172547175
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-[(6R,7S)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]acetamide
CID 66976115
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide (CID 156678558) is N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide is CC(=O)NC1CCNC(Oc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide?
The InChIKey is WSKLHMAGZKWJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-8(18)17-9-4-5-16-13(6-9)19-10-2-3-11(14)12(15)7-10/h2-3,7,9,13,16H,4-6H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide?
N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide has a molecular weight of 286.73 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenoxy)piperidin-4-yl]acetamide is sourced from PubChem (CID 156678558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).