N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide

C17H15BrFNO3S — CID 60515712

IUPACN-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)COc2ccc(Br)cc2F)ccc1NC(C)=O
InChIInChI=1S/C17H15BrFNO3S/c1-10(21)20-14-5-3-11(7-17(14)24-2)15(22)9-23-16-6-4-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyGRVXSCQRAJODQW-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide

N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 60515712) has the molecular formula C17H15BrFNO3S and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
PubChem CID60515712
Molecular FormulaC17H15BrFNO3S
Molecular Weight412.28 g/mol
Exact Mass410.99
IUPAC NameN-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1cc(C(=O)COc2ccc(Br)cc2F)ccc1NC(C)=O
InChIInChI=1S/C17H15BrFNO3S/c1-10(21)20-14-5-3-11(7-17(14)24-2)15(22)9-23-16-6-4-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyGRVXSCQRAJODQW-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,5-dichlorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60513452
2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 7500205
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 24526996
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
(1-anilino-1-oxopropan-2-yl) 2-(4-bromo-2-fluorophenoxy)acetate
CID 55326994
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide (CID 60515712) is N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide is CSc1cc(C(=O)COc2ccc(Br)cc2F)ccc1NC(C)=O.
What is the InChIKey of N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is GRVXSCQRAJODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO3S/c1-10(21)20-14-5-3-11(7-17(14)24-2)15(22)9-23-16-6-4-12(18)8-13(16)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide?
N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 412.28 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 60515712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).