N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H19Cl2FN2OS — CID 119939548

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H18ClFN2OS.ClH/c1-9(12-3-2-10(16)6-13(12)15)18-14(19)7-11-8-20-5-4-17-11;/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19);1H
InChIKeyIUMDBXAJJDTGHM-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.17
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939548) has the molecular formula C14H19Cl2FN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939548
Molecular FormulaC14H19Cl2FN2OS
Molecular Weight353.29 g/mol
Exact Mass352.06
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H18ClFN2OS.ClH/c1-9(12-3-2-10(16)6-13(12)15)18-14(19)7-11-8-20-5-4-17-11;/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19);1H
InChIKeyIUMDBXAJJDTGHM-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939548) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(NC(=O)CC1CSCCN1)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is IUMDBXAJJDTGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2OS.ClH/c1-9(12-3-2-10(16)6-13(12)15)18-14(19)7-11-8-20-5-4-17-11;/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).