2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide

C19H12BrF3N4O2 — CID 20567036

IUPAC2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Br)Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H12BrF3N4O2/c20-14-4-2-1-3-13(14)17(28)27-18(29)26-16-10-24-15(9-25-16)11-5-7-12(8-6-11)19(21,22)23/h1-10H,(H2,25,26,27,28,29)
InChIKeyBDGIMGMGJUEXTP-UHFFFAOYSA-N
MW465.23 g/mol
LogP4.89
Rot. Bonds3

About 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide

2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide (PubChem CID 20567036) has the molecular formula C19H12BrF3N4O2 and a molecular weight of 465.23 g/mol. Its IUPAC name is 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
PubChem CID20567036
Molecular FormulaC19H12BrF3N4O2
Molecular Weight465.23 g/mol
Exact Mass464.01
IUPAC Name2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Br)Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H12BrF3N4O2/c20-14-4-2-1-3-13(14)17(28)27-18(29)26-16-10-24-15(9-25-16)11-5-7-12(8-6-11)19(21,22)23/h1-10H,(H2,25,26,27,28,29)
InChIKeyBDGIMGMGJUEXTP-UHFFFAOYSA-N
XLogP4.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.23
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The IUPAC name of 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide (CID 20567036) is 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The canonical SMILES for 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Br)Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The InChIKey is BDGIMGMGJUEXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N4O2/c20-14-4-2-1-3-13(14)17(28)27-18(29)26-16-10-24-15(9-25-16)11-5-7-12(8-6-11)19(21,22)23/h1-10H,(H2,25,26,27,28,29).
What are the key properties of 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide has a molecular weight of 465.23 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 20567036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).