N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide

C9H9BrClNOS — CID 103479840

IUPACN-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H9BrClNOS/c1-14-5-8(13)12-7-4-2-3-6(11)9(7)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFTPPARSEMMFIKP-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.40
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide

N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide (PubChem CID 103479840) has the molecular formula C9H9BrClNOS and a molecular weight of 294.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
PubChem CID103479840
Molecular FormulaC9H9BrClNOS
Molecular Weight294.60 g/mol
Exact Mass292.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H9BrClNOS/c1-14-5-8(13)12-7-4-2-3-6(11)9(7)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFTPPARSEMMFIKP-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477123
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide (CID 103479840) is N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide?
The InChIKey is FTPPARSEMMFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNOS/c1-14-5-8(13)12-7-4-2-3-6(11)9(7)10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide?
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide has a molecular weight of 294.60 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 103479840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).