2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide

C15H13ClFNO2S — CID 66573934

IUPAC2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-7-11(5-6-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2,(H2,18,19)
InChIKeyZVIMYMZIWXJLBR-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.99
Rot. Bonds6

About 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide

2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide (PubChem CID 66573934) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
PubChem CID66573934
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Name2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2S/c16-12-7-11(5-6-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2,(H2,18,19)
InChIKeyZVIMYMZIWXJLBR-UHFFFAOYSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
CID 66573868
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetamide
CID 66938308
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-[(2-iodophenyl)methylsulfanyl]acetamide
CID 23089127
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide (CID 66573934) is 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide is NC(=O)CSCc1ccccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide?
The InChIKey is ZVIMYMZIWXJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c16-12-7-11(5-6-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2,(H2,18,19).
What are the key properties of 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide?
2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide has a molecular weight of 325.79 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 66573934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).