N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide

C20H17FIN3O — CID 70830199

IUPACN-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
SMILESCCc1nc(-c2ccc(F)cc2)cnc1NC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C20H17FIN3O/c1-2-17-20(25-19(26)11-13-3-9-16(22)10-4-13)23-12-18(24-17)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,23,25,26)
InChIKeyUYVQDGDOTFLOOB-UHFFFAOYSA-N
MW461.28 g/mol
LogP4.63
Rot. Bonds5

About N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide

N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide (PubChem CID 70830199) has the molecular formula C20H17FIN3O and a molecular weight of 461.28 g/mol. Its IUPAC name is N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
PubChem CID70830199
Molecular FormulaC20H17FIN3O
Molecular Weight461.28 g/mol
Exact Mass461.04
IUPAC NameN-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide
SMILESCCc1nc(-c2ccc(F)cc2)cnc1NC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C20H17FIN3O/c1-2-17-20(25-19(26)11-13-3-9-16(22)10-4-13)23-12-18(24-17)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,23,25,26)
InChIKeyUYVQDGDOTFLOOB-UHFFFAOYSA-N
XLogP4.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(3-ethyl-5-phenylpyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 143000025
N-[3-(2-cyclohexylethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000334
N-[3-benzyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123596741
2-(4-bromophenyl)-N-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 140639417
4-[5-[[2-(4-fluorophenyl)acetyl]amino]-6-(2-phenylethyl)pyrazin-2-yl]benzoyl azide
CID 143000252
N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 70830070
N-[5-[4-(hydroxymethyl)phenyl]-3-(2-methylpropyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123569135
2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 123393100
N-[5-(4-fluorophenyl)-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 123858984
2-(4-hydroxyphenyl)-N-[3-(2-methylpropyl)-5-(4-phosphanylphenyl)pyrazin-2-yl]acetamide
CID 143000180
N-[5-(4-hydroxyphenyl)-3-[(E)-2-phenylethenyl]pyrazin-2-yl]-2-(4-iodophenyl)acetamide
CID 136625436
2-(4-bromophenyl)-N-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]acetamide
CID 136625342

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide?
The IUPAC name of N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide (CID 70830199) is N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide is CCc1nc(-c2ccc(F)cc2)cnc1NC(=O)Cc1ccc(I)cc1.
What is the InChIKey of N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide?
The InChIKey is UYVQDGDOTFLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FIN3O/c1-2-17-20(25-19(26)11-13-3-9-16(22)10-4-13)23-12-18(24-17)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,23,25,26).
What are the key properties of N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide?
N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide has a molecular weight of 461.28 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 70830199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).