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

C17H11ClFN3O2 — CID 53118361

IUPACN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
SMILESO=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1
InChIInChI=1S/C17H11ClFN3O2/c18-13-10-12(6-7-14(13)19)22-9-8-20-15(17(22)24)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23)
InChIKeySBQVEJDWHSAPTF-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.28
Rot. Bonds3

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

N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide (PubChem CID 53118361) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
PubChem CID53118361
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
SMILESO=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1
InChIInChI=1S/C17H11ClFN3O2/c18-13-10-12(6-7-14(13)19)22-9-8-20-15(17(22)24)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23)
InChIKeySBQVEJDWHSAPTF-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118375
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
N-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118362
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 20941648
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513
1-(3-chloro-4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
CID 7386474
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 18579432

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide (CID 53118361) is N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide is O=C(Nc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The InChIKey is SBQVEJDWHSAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-13-10-12(6-7-14(13)19)22-9-8-20-15(17(22)24)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,20,21,23).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide has a molecular weight of 343.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide is sourced from PubChem (CID 53118361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).