2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C23H17F3N2O2S — CID 155548442

IUPAC2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3cc(F)ccc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O2S/c24-16-4-1-14(2-5-16)9-10-27-22(29)11-15-3-7-18(13-19(15)26)30-23-28-20-12-17(25)6-8-21(20)31-23/h1-8,12-13H,9-11H2,(H,27,29)
InChIKeyNXZPSJPTZRRXRZ-UHFFFAOYSA-N
MW442.46 g/mol
LogP5.41
Rot. Bonds7

About 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 155548442) has the molecular formula C23H17F3N2O2S and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID155548442
Molecular FormulaC23H17F3N2O2S
Molecular Weight442.46 g/mol
Exact Mass442.10
IUPAC Name2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3cc(F)ccc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O2S/c24-16-4-1-14(2-5-16)9-10-27-22(29)11-15-3-7-18(13-19(15)26)30-23-28-20-12-17(25)6-8-21(20)31-23/h1-8,12-13H,9-11H2,(H,27,29)
InChIKeyNXZPSJPTZRRXRZ-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
CID 155563098
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 71854477
2-[2-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 135312445
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl]-N-methylacetamide
CID 126645019
5-[2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]ethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 54575866
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43832908
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 155548442) is 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(Oc2nc3cc(F)ccc3s2)cc1F)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NXZPSJPTZRRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2S/c24-16-4-1-14(2-5-16)9-10-27-22(29)11-15-3-7-18(13-19(15)26)30-23-28-20-12-17(25)6-8-21(20)31-23/h1-8,12-13H,9-11H2,(H,27,29).
What are the key properties of 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 442.46 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 155548442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).