N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide

C13H16ClFN2OS — CID 114626532

IUPACN-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2OS/c14-10-2-1-3-11(13(10)15)17-12(18)8-19-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyULCCBBSIIKWVDX-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.90
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide

N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626532) has the molecular formula C13H16ClFN2OS and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626532
Molecular FormulaC13H16ClFN2OS
Molecular Weight302.80 g/mol
Exact Mass302.07
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2OS/c14-10-2-1-3-11(13(10)15)17-12(18)8-19-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyULCCBBSIIKWVDX-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628124
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626808
N-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzamide
CID 114626484
methyl 2-[(2-piperidin-4-ylsulfanylacetyl)amino]benzoate
CID 114626637
N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627970
N-[2-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626715
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(4-chloro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626741
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide (CID 114626532) is N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is ULCCBBSIIKWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2OS/c14-10-2-1-3-11(13(10)15)17-12(18)8-19-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2,(H,17,18).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 302.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).