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

C19H14Cl2N2O4 — CID 11079983

IUPACbenzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
SMILESO=C(Cn1c(-c2cccc(O)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1
InChIInChI=1S/C19H14Cl2N2O4/c20-17-16(13-7-4-8-14(24)9-13)23(19(26)18(21)22-17)10-15(25)27-11-12-5-2-1-3-6-12/h1-9,24H,10-11H2
InChIKeyIBSREWXKEWPEAE-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.67
Rot. Bonds5

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

benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate (PubChem CID 11079983) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
PubChem CID11079983
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Namebenzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
SMILESO=C(Cn1c(-c2cccc(O)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1
InChIInChI=1S/C19H14Cl2N2O4/c20-17-16(13-7-4-8-14(24)9-13)23(19(26)18(21)22-17)10-15(25)27-11-12-5-2-1-3-6-12/h1-9,24H,10-11H2
InChIKeyIBSREWXKEWPEAE-UHFFFAOYSA-N
XLogP3.67
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
CID 11015392
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
(3-hydroxyphenyl)methyl 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 121403491
benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
CID 54269425
benzyl 2-(4,5-diphenyltriazol-1-yl)acetate
CID 59363132
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
benzyl 3-(2-chloropyrimidin-4-yl)benzoate
CID 44754977

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate?
The IUPAC name of benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate (CID 11079983) is benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate is O=C(Cn1c(-c2cccc(O)c2)c(Cl)nc(Cl)c1=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate?
The InChIKey is IBSREWXKEWPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c20-17-16(13-7-4-8-14(24)9-13)23(19(26)18(21)22-17)10-15(25)27-11-12-5-2-1-3-6-12/h1-9,24H,10-11H2.
What are the key properties of benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate?
benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate has a molecular weight of 405.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 11079983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).