2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide

C23H16F3N3O — CID 67363402

IUPAC2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide
SMILESCc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H16F3N3O/c1-13-20(29-19-9-5-8-18(21(19)28-13)23(24,25)26)16-11-10-15(12-17(16)22(27)30)14-6-3-2-4-7-14/h2-12H,1H3,(H2,27,30)
InChIKeyOMQAMFIVXOSKAT-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.39
Rot. Bonds3

About 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide

2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide (PubChem CID 67363402) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide
PubChem CID67363402
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide
SMILESCc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H16F3N3O/c1-13-20(29-19-9-5-8-18(21(19)28-13)23(24,25)26)16-11-10-15(12-17(16)22(27)30)14-6-3-2-4-7-14/h2-12H,1H3,(H2,27,30)
InChIKeyOMQAMFIVXOSKAT-UHFFFAOYSA-N
XLogP5.39
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide (CID 67363402) is 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide is Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide?
The InChIKey is OMQAMFIVXOSKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-13-20(29-19-9-5-8-18(21(19)28-13)23(24,25)26)16-11-10-15(12-17(16)22(27)30)14-6-3-2-4-7-14/h2-12H,1H3,(H2,27,30).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide?
2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide has a molecular weight of 407.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]-5-phenylbenzamide is sourced from PubChem (CID 67363402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).