N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide

C24H23F2N3O — CID 123435419

IUPACN-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1C1CCCCC1
InChIInChI=1S/C24H23F2N3O/c25-19-12-11-16(13-20(19)26)14-22(30)29-24-23(18-9-5-2-6-10-18)28-21(15-27-24)17-7-3-1-4-8-17/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,27,29,30)
InChIKeyYVNRQGATBOCOIN-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.65
Rot. Bonds5

About N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide

N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 123435419) has the molecular formula C24H23F2N3O and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID123435419
Molecular FormulaC24H23F2N3O
Molecular Weight407.46 g/mol
Exact Mass407.18
IUPAC NameN-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1C1CCCCC1
InChIInChI=1S/C24H23F2N3O/c25-19-12-11-16(13-20(19)26)14-22(30)29-24-23(18-9-5-2-6-10-18)28-21(15-27-24)17-7-3-1-4-8-17/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,27,29,30)
InChIKeyYVNRQGATBOCOIN-UHFFFAOYSA-N
XLogP5.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide (CID 123435419) is N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1C1CCCCC1.
What is the InChIKey of N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is YVNRQGATBOCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O/c25-19-12-11-16(13-20(19)26)14-22(30)29-24-23(18-9-5-2-6-10-18)28-21(15-27-24)17-7-3-1-4-8-17/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,27,29,30).
What are the key properties of N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide?
N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 407.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-5-phenylpyrazin-2-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 123435419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).