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

C108H89BrClFN12O9 — CID 161312011

IUPAC2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1
InChIInChI=1S/C27H22BrN3O2.C27H22ClN3O2.C27H22FN3O2.C27H23N3O3/c3*28-23-13-8-20(9-14-23)16-26(33)31-27-24(15-10-19-4-2-1-3-5-19)30-25(17-29-27)22-11-6-21(18-32)7-12-22;31-18-21-6-11-22(12-7-21)25-17-28-27(24(29-25)15-10-19-4-2-1-3-5-19)30-26(33)16-20-8-13-23(32)14-9-20/h3*1-15,17,32H,16,18H2,(H,29,31,33);1-15,17,31-32H,16,18H2,(H,28,30,33)/b4*15-10+
InChIKeyVJABFCQMGQKJCB-QQDZLXNGSA-N
MW1833.33 g/mol
LogP21.21
Rot. Bonds28

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

2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 161312011) has the molecular formula C108H89BrClFN12O9 and a molecular weight of 1833.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID161312011
Molecular FormulaC108H89BrClFN12O9
Molecular Weight1833.33 g/mol
Exact Mass1830.57
IUPAC Name2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1
InChIInChI=1S/C27H22BrN3O2.C27H22ClN3O2.C27H22FN3O2.C27H23N3O3/c3*28-23-13-8-20(9-14-23)16-26(33)31-27-24(15-10-19-4-2-1-3-5-19)30-25(17-29-27)22-11-6-21(18-32)7-12-22;31-18-21-6-11-22(12-7-21)25-17-28-27(24(29-25)15-10-19-4-2-1-3-5-19)30-26(33)16-20-8-13-23(32)14-9-20/h3*1-15,17,32H,16,18H2,(H,29,31,33);1-15,17,31-32H,16,18H2,(H,28,30,33)/b4*15-10+
InChIKeyVJABFCQMGQKJCB-QQDZLXNGSA-N
XLogP21.21
TPSA320.67 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001833.33
LogP ≤ 521.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]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-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide (CID 161312011) is 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(F)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(CO)cc2)nc1/C=C/c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is VJABFCQMGQKJCB-QQDZLXNGSA-N. The full InChI is InChI=1S/C27H22BrN3O2.C27H22ClN3O2.C27H22FN3O2.C27H23N3O3/c3*28-23-13-8-20(9-14-23)16-26(33)31-27-24(15-10-19-4-2-1-3-5-19)30-25(17-29-27)22-11-6-21(18-32)7-12-22;31-18-21-6-11-22(12-7-21)25-17-28-27(24(29-25)15-10-19-4-2-1-3-5-19)30-26(33)16-20-8-13-23(32)14-9-20/h3*1-15,17,32H,16,18H2,(H,29,31,33);1-15,17,31-32H,16,18H2,(H,28,30,33)/b4*15-10+.
What are the key properties of 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide?
2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 1833.33 g/mol, XLogP of 21.21, 28 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-chlorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide;N-[5-[4-(hydroxymethyl)phenyl]-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 161312011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).