N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide

C24H17F5N2O2S — CID 155563098

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccc(C(F)(F)F)cc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C24H17F5N2O2S/c25-17-5-1-14(2-6-17)9-10-30-22(32)11-15-3-7-18(13-19(15)26)33-23-31-20-8-4-16(24(27,28)29)12-21(20)34-23/h1-8,12-13H,9-11H2,(H,30,32)
InChIKeyDSWHAAJQAPJNRJ-UHFFFAOYSA-N
MW492.47 g/mol
LogP6.29
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide (PubChem CID 155563098) has the molecular formula C24H17F5N2O2S and a molecular weight of 492.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
PubChem CID155563098
Molecular FormulaC24H17F5N2O2S
Molecular Weight492.47 g/mol
Exact Mass492.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccc(C(F)(F)F)cc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C24H17F5N2O2S/c25-17-5-1-14(2-6-17)9-10-30-22(32)11-15-3-7-18(13-19(15)26)33-23-31-20-8-4-16(24(27,28)29)12-21(20)34-23/h1-8,12-13H,9-11H2,(H,30,32)
InChIKeyDSWHAAJQAPJNRJ-UHFFFAOYSA-N
XLogP6.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 155548442
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
3-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126645092
2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
CID 126645019
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-aminophenyl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide
CID 122182960
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide (CID 155563098) is N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide is O=C(Cc1ccc(Oc2nc3ccc(C(F)(F)F)cc3s2)cc1F)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The InChIKey is DSWHAAJQAPJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N2O2S/c25-17-5-1-14(2-6-17)9-10-30-22(32)11-15-3-7-18(13-19(15)26)33-23-31-20-8-4-16(24(27,28)29)12-21(20)34-23/h1-8,12-13H,9-11H2,(H,30,32).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide has a molecular weight of 492.47 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 155563098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).