2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide

C11H13ClFNOS — CID 4285696

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyUMHCQRRARMDWHX-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 4285696) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
PubChem CID4285696
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyUMHCQRRARMDWHX-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Orbencarb
CID 36867
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2,6-dichlorobenzyl)sulfanyl]-N,N-dimethylacetamide
CID 900355
2-(Bis(4-chlorophenyl)methylthio)-N,N-dimethylacetamide
CID 53320105
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 2804916
S-(4-Chlorobenzyl)-N,N-dimethylthiocarbamate
CID 186173
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 961808
2-[(2-Chlorobenzyl)sulfanyl]acetamide
CID 958774
N-{2-[(2-chlorobenzyl)thio]ethyl}acetamide
CID 2284387

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide (CID 4285696) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is UMHCQRRARMDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 261.75 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 4285696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).