benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate

C19H13Cl3N2O3 — CID 11015392

IUPACbenzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
SMILESO=C(Cn1c(-c2cccc(Cl)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1
InChIInChI=1S/C19H13Cl3N2O3/c20-14-8-4-7-13(9-14)16-17(21)23-18(22)19(26)24(16)10-15(25)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyNJSUKYPQAUCJHZ-UHFFFAOYSA-N
MW423.68 g/mol
LogP4.61
Rot. Bonds5

About benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate

benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate (PubChem CID 11015392) has the molecular formula C19H13Cl3N2O3 and a molecular weight of 423.68 g/mol. Its IUPAC name is benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
PubChem CID11015392
Molecular FormulaC19H13Cl3N2O3
Molecular Weight423.68 g/mol
Exact Mass422.00
IUPAC Namebenzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
SMILESO=C(Cn1c(-c2cccc(Cl)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1
InChIInChI=1S/C19H13Cl3N2O3/c20-14-8-4-7-13(9-14)16-17(21)23-18(22)19(26)24(16)10-15(25)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyNJSUKYPQAUCJHZ-UHFFFAOYSA-N
XLogP4.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.68
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
CID 11079983
benzyl 2-[3,5-dichloro-2-[3-(methylamino)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10895027
benzyl 2-[3,5-dichloro-2-[3-(methanesulfonamido)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10983695
benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
CID 10663926
benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate
CID 11143781
benzyl 2-[3-chloro-2-(4-chlorophenyl)-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetate
CID 11060264
benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175
benzyl N-[2-(3-chlorophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate
CID 15895419
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
CID 45271497

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate?
The IUPAC name of benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate (CID 11015392) is benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate is O=C(Cn1c(-c2cccc(Cl)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate?
The InChIKey is NJSUKYPQAUCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3/c20-14-8-4-7-13(9-14)16-17(21)23-18(22)19(26)24(16)10-15(25)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2.
What are the key properties of benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate?
benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate has a molecular weight of 423.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 11015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).