2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

C24H17BrFN3O2 — CID 140639417

IUPAC2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C24H17BrFN3O2/c25-18-7-1-15(2-8-18)13-22(31)29-24-23(17-5-11-20(30)12-6-17)28-21(14-27-24)16-3-9-19(26)10-4-16/h1-12,14,30H,13H2,(H,27,29,31)
InChIKeyASLDRCLBRZQKIE-UHFFFAOYSA-N
MW478.32 g/mol
LogP5.60
Rot. Bonds5

About 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide

2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (PubChem CID 140639417) has the molecular formula C24H17BrFN3O2 and a molecular weight of 478.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
PubChem CID140639417
Molecular FormulaC24H17BrFN3O2
Molecular Weight478.32 g/mol
Exact Mass477.05
IUPAC Name2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C24H17BrFN3O2/c25-18-7-1-15(2-8-18)13-22(31)29-24-23(17-5-11-20(30)12-6-17)28-21(14-27-24)16-3-9-19(26)10-4-16/h1-12,14,30H,13H2,(H,27,29,31)
InChIKeyASLDRCLBRZQKIE-UHFFFAOYSA-N
XLogP5.60
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.32
LogP ≤ 55.60
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
2-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)-5-phenylpyrazin-2-yl]acetamide
CID 136624974
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342
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
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
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123858984
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
2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 123393100
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-3-phenylpropanamide
CID 137101630
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 70830199
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide (CID 140639417) is 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
The InChIKey is ASLDRCLBRZQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN3O2/c25-18-7-1-15(2-8-18)13-22(31)29-24-23(17-5-11-20(30)12-6-17)28-21(14-27-24)16-3-9-19(26)10-4-16/h1-12,14,30H,13H2,(H,27,29,31).
What are the key properties of 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide?
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide has a molecular weight of 478.32 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 140639417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).