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

C19H16ClN3O3 — CID 53118437

IUPAC4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-2-26-16-9-7-15(8-10-16)23-12-11-21-17(19(23)25)22-18(24)13-3-5-14(20)6-4-13/h3-12H,2H2,1H3,(H,21,22,24)
InChIKeyHDLDBGYFLFLBKF-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.54
Rot. Bonds5

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

4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide (PubChem CID 53118437) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
PubChem CID53118437
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-2-26-16-9-7-15(8-10-16)23-12-11-21-17(19(23)25)22-18(24)13-3-5-14(20)6-4-13/h3-12H,2H2,1H3,(H,21,22,24)
InChIKeyHDLDBGYFLFLBKF-UHFFFAOYSA-N
XLogP3.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-ethoxyphenyl)pyrazin-2-one
CID 42553785
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
CID 75449837
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide (CID 53118437) is 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide is CCOc1ccc(-n2ccnc(NC(=O)c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The InChIKey is HDLDBGYFLFLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-2-26-16-9-7-15(8-10-16)23-12-11-21-17(19(23)25)22-18(24)13-3-5-14(20)6-4-13/h3-12H,2H2,1H3,(H,21,22,24).
What are the key properties of 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide has a molecular weight of 369.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide is sourced from PubChem (CID 53118437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).