4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide

C14H14ClN3O3 — CID 75449837

IUPAC4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-3-21-11-8-9(15)4-5-10(11)13(19)17-12-14(20)18(2)7-6-16-12/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyNQZSDFLXQFXMBE-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.08
Rot. Bonds4

About 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide

4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide (PubChem CID 75449837) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
PubChem CID75449837
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
SMILESCCOc1cc(Cl)ccc1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-3-21-11-8-9(15)4-5-10(11)13(19)17-12-14(20)18(2)7-6-16-12/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyNQZSDFLXQFXMBE-UHFFFAOYSA-N
XLogP2.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide (CID 75449837) is 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide is CCOc1cc(Cl)ccc1C(=O)Nc1nccn(C)c1=O.
What is the InChIKey of 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide?
The InChIKey is NQZSDFLXQFXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-21-11-8-9(15)4-5-10(11)13(19)17-12-14(20)18(2)7-6-16-12/h4-8H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide?
4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide has a molecular weight of 307.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide is sourced from PubChem (CID 75449837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).