2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide

C11H13ClFNOS — CID 71981064

IUPAC2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCc1c(F)cccc1Cl)C(N)=O
InChIInChI=1S/C11H13ClFNOS/c1-7(11(14)15)16-6-5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3,(H2,14,15)
InChIKeyXMGULJHGACHFQX-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide

2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide (PubChem CID 71981064) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide
PubChem CID71981064
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCc1c(F)cccc1Cl)C(N)=O
InChIInChI=1S/C11H13ClFNOS/c1-7(11(14)15)16-6-5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3,(H2,14,15)
InChIKeyXMGULJHGACHFQX-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
CID 39359888
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579038
1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 71914259
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide (CID 71981064) is 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide is CC(SCCc1c(F)cccc1Cl)C(N)=O.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide?
The InChIKey is XMGULJHGACHFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c1-7(11(14)15)16-6-5-8-9(12)3-2-4-10(8)13/h2-4,7H,5-6H2,1H3,(H2,14,15).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide?
2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide has a molecular weight of 261.75 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide is sourced from PubChem (CID 71981064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).