2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H12BrClF3NOS — CID 1315867

IUPAC2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H12BrClF3NOS/c17-12-4-2-1-3-10(12)8-24-9-15(23)22-14-7-11(16(19,20)21)5-6-13(14)18/h1-7H,8-9H2,(H,22,23)
InChIKeyOTYAKNLGWNGOJE-UHFFFAOYSA-N
MW438.70 g/mol
LogP5.99
Rot. Bonds5

About 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1315867) has the molecular formula C16H12BrClF3NOS and a molecular weight of 438.70 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1315867
Molecular FormulaC16H12BrClF3NOS
Molecular Weight438.70 g/mol
Exact Mass436.95
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H12BrClF3NOS/c17-12-4-2-1-3-10(12)8-24-9-15(23)22-14-7-11(16(19,20)21)5-6-13(14)18/h1-7H,8-9H2,(H,22,23)
InChIKeyOTYAKNLGWNGOJE-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)acetamide
CID 112779384
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896870

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 1315867) is 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OTYAKNLGWNGOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3NOS/c17-12-4-2-1-3-10(12)8-24-9-15(23)22-14-7-11(16(19,20)21)5-6-13(14)18/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 438.70 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1315867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).