N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide

C18H14FN3O2 — CID 53118380

IUPACN-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H14FN3O2/c1-12-3-2-4-13(11-12)17(23)21-16-18(24)22(10-9-20-16)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,21,23)
InChIKeyOPMYIOYLDVBZBF-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.93
Rot. Bonds3

About N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide

N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide (PubChem CID 53118380) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
PubChem CID53118380
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H14FN3O2/c1-12-3-2-4-13(11-12)17(23)21-16-18(24)22(10-9-20-16)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,21,23)
InChIKeyOPMYIOYLDVBZBF-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118375
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
CID 53118315
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
N-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118362
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide (CID 53118380) is N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide?
The InChIKey is OPMYIOYLDVBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-12-3-2-4-13(11-12)17(23)21-16-18(24)22(10-9-20-16)15-7-5-14(19)6-8-15/h2-11H,1H3,(H,20,21,23).
What are the key properties of N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide?
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide has a molecular weight of 323.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide is sourced from PubChem (CID 53118380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).