2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide

C24H18ClN3O2 — CID 136624974

IUPAC2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccccc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C24H18ClN3O2/c25-19-10-6-16(7-11-19)14-22(30)28-24-23(18-8-12-20(29)13-9-18)27-21(15-26-24)17-4-2-1-3-5-17/h1-13,15,29H,14H2,(H,26,28,30)
InChIKeyNHQGFSQJCDXLDP-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.35
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide

2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide (PubChem CID 136624974) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
PubChem CID136624974
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccccc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C24H18ClN3O2/c25-19-10-6-16(7-11-19)14-22(30)28-24-23(18-8-12-20(29)13-9-18)27-21(15-26-24)17-4-2-1-3-5-17/h1-13,15,29H,14H2,(H,26,28,30)
InChIKeyNHQGFSQJCDXLDP-UHFFFAOYSA-N
XLogP5.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-[3-(4-hydroxyphenyl)-5-(4-nitrosophenyl)pyrazin-2-yl]acetamide
CID 143001007
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
2-(3,4-dimethylphenyl)-N-(3,5-diphenylpyrazin-2-yl)acetamide
CID 143000963
2-(4-hydroxyphenyl)-N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 135980268
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
2-(4-chlorophenyl)-N-[3-(2-cyclohexylethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625233
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
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
N-[5-(4-hydroxyphenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001080
N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-bromophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-chlorophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-fluorophenyl)acetamide;N-[5-(4-aminophenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 159315155

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide (CID 136624974) is 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ncc(-c2ccccc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide?
The InChIKey is NHQGFSQJCDXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-19-10-6-16(7-11-19)14-22(30)28-24-23(18-8-12-20(29)13-9-18)27-21(15-26-24)17-4-2-1-3-5-17/h1-13,15,29H,14H2,(H,26,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide?
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide has a molecular weight of 415.88 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide is sourced from PubChem (CID 136624974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).