2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

C104H89BrClFN12O13 — CID 159222419

IUPAC2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C26H22BrN3O3.C26H22ClN3O3.C26H22FN3O3.C26H23N3O4/c3*27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;30-16-18-6-10-19(11-7-18)22-15-27-26(24(28-22)25(33)20-4-2-1-3-5-20)29-23(32)14-17-8-12-21(31)13-9-17/h3*1-13,15,25,31,33H,14,16H2,(H,28,30,32);1-13,15,25,30-31,33H,14,16H2,(H,27,29,32)
InChIKeyKRWBJGUPFBJSRN-UHFFFAOYSA-N
MW1849.28 g/mol
LogP16.86
Rot. Bonds28

About 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 159222419) has the molecular formula C104H89BrClFN12O13 and a molecular weight of 1849.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID159222419
Molecular FormulaC104H89BrClFN12O13
Molecular Weight1849.28 g/mol
Exact Mass1846.55
IUPAC Name2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1
InChIInChI=1S/C26H22BrN3O3.C26H22ClN3O3.C26H22FN3O3.C26H23N3O4/c3*27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;30-16-18-6-10-19(11-7-18)22-15-27-26(24(28-22)25(33)20-4-2-1-3-5-20)29-23(32)14-17-8-12-21(31)13-9-17/h3*1-13,15,25,31,33H,14,16H2,(H,28,30,32);1-13,15,25,30-31,33H,14,16H2,(H,27,29,32)
InChIKeyKRWBJGUPFBJSRN-UHFFFAOYSA-N
XLogP16.86
TPSA401.59 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.28
LogP ≤ 516.86
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 159222419) is 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1C(O)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is KRWBJGUPFBJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN3O3.C26H22ClN3O3.C26H22FN3O3.C26H23N3O4/c3*27-21-12-8-17(9-13-21)14-23(32)30-26-24(25(33)20-4-2-1-3-5-20)29-22(15-28-26)19-10-6-18(16-31)7-11-19;30-16-18-6-10-19(11-7-18)22-15-27-26(24(28-22)25(33)20-4-2-1-3-5-20)29-23(32)14-17-8-12-21(31)13-9-17/h3*1-13,15,25,31,33H,14,16H2,(H,28,30,32);1-13,15,25,30-31,33H,14,16H2,(H,27,29,32).
What are the key properties of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 1849.28 g/mol, XLogP of 16.86, 28 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 159222419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).