2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide

C10H11ClFNOS — CID 99831895

IUPAC2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-2-3-8(11)9(12)4-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyGJARHJFMBNGYPC-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.46
Rot. Bonds4

About 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide

2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 99831895) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide
PubChem CID99831895
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-2-3-8(11)9(12)4-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyGJARHJFMBNGYPC-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
3-[(4-chloro-3-fluorophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 107881650
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309874
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
CID 75452413
2-[(4-carbamothioylphenyl)methylsulfanyl]-N-methylacetamide
CID 82178528
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-methyl-2-[[3-(methylamino)-4-nitrophenyl]methylsulfanyl]acetamide
CID 114231924
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9301227

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide (CID 99831895) is 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is GJARHJFMBNGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-2-3-8(11)9(12)4-7/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide?
2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 247.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 99831895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).