N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide

C22H14F3N3O2 — CID 71679667

IUPACN-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccc3nccnc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)15-4-1-3-14(11-15)21(29)28-16-5-2-6-17(12-16)30-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H,28,29)
InChIKeyOLADGUMEIVQDEE-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.69
Rot. Bonds4

About N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide

N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 71679667) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID71679667
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC NameN-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccc3nccnc3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)15-4-1-3-14(11-15)21(29)28-16-5-2-6-17(12-16)30-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H,28,29)
InChIKeyOLADGUMEIVQDEE-UHFFFAOYSA-N
XLogP5.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide (CID 71679667) is N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Oc2ccc3nccnc3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is OLADGUMEIVQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)15-4-1-3-14(11-15)21(29)28-16-5-2-6-17(12-16)30-18-7-8-19-20(13-18)27-10-9-26-19/h1-13H,(H,28,29).
What are the key properties of N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide?
N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 409.37 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinoxalin-6-yloxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71679667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).