N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

C18H13ClFN3O3 — CID 7286902

IUPACN-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESO=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H13ClFN3O3/c19-12-2-1-3-14(10-12)21-16(24)11-22-8-9-23(18(26)17(22)25)15-6-4-13(20)5-7-15/h1-10H,11H2,(H,21,24)
InChIKeyMBJJCSPRRJINQN-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.43
Rot. Bonds4

About N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 7286902) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID7286902
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC NameN-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESO=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H13ClFN3O3/c19-12-2-1-3-14(10-12)21-16(24)11-22-8-9-23(18(26)17(22)25)15-6-4-13(20)5-7-15/h1-10H,11H2,(H,21,24)
InChIKeyMBJJCSPRRJINQN-UHFFFAOYSA-N
XLogP2.43
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 7286902) is N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is MBJJCSPRRJINQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-12-2-1-3-14(10-12)21-16(24)11-22-8-9-23(18(26)17(22)25)15-6-4-13(20)5-7-15/h1-10H,11H2,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 373.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(4-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 7286902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).