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

C24H17F5N2O2S — CID 155521682

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3cc(C(F)(F)F)ccc3s2)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)33-23-31-20-12-16(24(27,28)29)4-8-21(20)34-23/h1-8,12-13H,9-11H2,(H,30,32)
InChIKeyVPGPLKYFASSHAY-UHFFFAOYSA-N
MW492.47 g/mol
LogP6.29
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide (PubChem CID 155521682) 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-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
PubChem CID155521682
Molecular FormulaC24H17F5N2O2S
Molecular Weight492.47 g/mol
Exact Mass492.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3cc(C(F)(F)F)ccc3s2)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)33-23-31-20-12-16(24(27,28)29)4-8-21(20)34-23/h1-8,12-13H,9-11H2,(H,30,32)
InChIKeyVPGPLKYFASSHAY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide (CID 155521682) is N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide is O=C(Cc1ccc(Oc2nc3cc(C(F)(F)F)ccc3s2)cc1F)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
The InChIKey is VPGPLKYFASSHAY-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)33-23-31-20-12-16(24(27,28)29)4-8-21(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-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-fluoro-4-[[5-(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-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 155521682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).