5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide

C18H10F5N3O2 — CID 11516756

IUPAC5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(-c2ccc(F)c(-c3cccc(F)c3C(F)(F)F)c2)n1
InChIInChI=1S/C18H10F5N3O2/c19-11-5-4-8(15-17(28)25-7-13(26-15)16(24)27)6-10(11)9-2-1-3-12(20)14(9)18(21,22)23/h1-7H,(H2,24,27)(H,25,28)
InChIKeyVXCUOGKUWKONCM-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.50
Rot. Bonds3

About 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide

5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 11516756) has the molecular formula C18H10F5N3O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID11516756
Molecular FormulaC18H10F5N3O2
Molecular Weight395.29 g/mol
Exact Mass395.07
IUPAC Name5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(-c2ccc(F)c(-c3cccc(F)c3C(F)(F)F)c2)n1
InChIInChI=1S/C18H10F5N3O2/c19-11-5-4-8(15-17(28)25-7-13(26-15)16(24)27)6-10(11)9-2-1-3-12(20)14(9)18(21,22)23/h1-7H,(H2,24,27)(H,25,28)
InChIKeyVXCUOGKUWKONCM-UHFFFAOYSA-N
XLogP3.50
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11545237
4-(1,3-Dihydroxypropan-2-yl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842423
5-methyl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazin-2-one
CID 59842424
4-(2,3-Dihydroxypropyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 59842429
6-[3-[2-Fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-oxo-4-(2-oxopropyl)pyrazine-2-carboxamide
CID 59842438
6-[3-[2-(Difluoromethyl)-6-fluorophenyl]phenyl]-4-(1,3-dihydroxypropan-2-yl)-5-oxopyrazine-2-carboxamide
CID 143119993
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxamide
CID 143119996
6-[2-Fluoro-5-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11495204
4-(2-Amino-2-oxoethyl)-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
CID 11495358
4-(2-Amino-2-oxoethyl)-6-[4-fluoro-3-[4-fluoro-2-(trifluoromethyl)phenyl]phenyl]-5-oxopyrazine-2-carboxamide
CID 11496153
6-[3-[5-Bromo-2-(trifluoromethyl)phenyl]-4-fluorophenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11496476
6-[3-[4-Fluoro-2-(trifluoromethyl)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11502018

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 11516756) is 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide is NC(=O)c1c[nH]c(=O)c(-c2ccc(F)c(-c3cccc(F)c3C(F)(F)F)c2)n1.
What is the InChIKey of 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is VXCUOGKUWKONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O2/c19-11-5-4-8(15-17(28)25-7-13(26-15)16(24)27)6-10(11)9-2-1-3-12(20)14(9)18(21,22)23/h1-7H,(H2,24,27)(H,25,28).
What are the key properties of 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide?
5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 11516756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).