N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide

C10H9Br2F2N3O — CID 114226842

IUPACN-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)C1CCC(F)(F)C1
InChIInChI=1S/C10H9Br2F2N3O/c11-6-4-15-8(7(12)16-6)17-9(18)5-1-2-10(13,14)3-5/h4-5H,1-3H2,(H,15,17,18)
InChIKeyXLTUWVADDGZEKM-UHFFFAOYSA-N
MW385.01 g/mol
LogP3.38
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide

N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114226842) has the molecular formula C10H9Br2F2N3O and a molecular weight of 385.01 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114226842
Molecular FormulaC10H9Br2F2N3O
Molecular Weight385.01 g/mol
Exact Mass382.91
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)C1CCC(F)(F)C1
InChIInChI=1S/C10H9Br2F2N3O/c11-6-4-15-8(7(12)16-6)17-9(18)5-1-2-10(13,14)3-5/h4-5H,1-3H2,(H,15,17,18)
InChIKeyXLTUWVADDGZEKM-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.01
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide (CID 114226842) is N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide is O=C(Nc1ncc(Br)nc1Br)C1CCC(F)(F)C1.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is XLTUWVADDGZEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2N3O/c11-6-4-15-8(7(12)16-6)17-9(18)5-1-2-10(13,14)3-5/h4-5H,1-3H2,(H,15,17,18).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 385.01 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114226842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).