N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide

C19H16FN3O2 — CID 53118396

IUPACN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-12-9-13(2)11-16(10-12)23-8-7-21-17(19(23)25)22-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOICOCJKPWHHLLE-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.24
Rot. Bonds3

About N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide

N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide (PubChem CID 53118396) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide
PubChem CID53118396
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-12-9-13(2)11-16(10-12)23-8-7-21-17(19(23)25)22-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOICOCJKPWHHLLE-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide (CID 53118396) is N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide is Cc1cc(C)cc(-n2ccnc(NC(=O)c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide?
The InChIKey is OICOCJKPWHHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-9-13(2)11-16(10-12)23-8-7-21-17(19(23)25)22-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide?
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide has a molecular weight of 337.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 53118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).