N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide

C11H12ClF2N3O — CID 114226828

IUPACN-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)C1CCCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N3O/c12-8-5-15-6-9(16-8)17-10(18)7-2-1-3-11(13,14)4-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyJAFSLLHMYWNNRL-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.89
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide

N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 114226828) has the molecular formula C11H12ClF2N3O and a molecular weight of 275.69 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
PubChem CID114226828
Molecular FormulaC11H12ClF2N3O
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC NameN-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)C1CCCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N3O/c12-8-5-15-6-9(16-8)17-10(18)7-2-1-3-11(13,14)4-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyJAFSLLHMYWNNRL-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide (CID 114226828) is N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide is O=C(Nc1cncc(Cl)n1)C1CCCC(F)(F)C1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is JAFSLLHMYWNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O/c12-8-5-15-6-9(16-8)17-10(18)7-2-1-3-11(13,14)4-7/h5-7H,1-4H2,(H,16,17,18).
What are the key properties of N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide?
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 275.69 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 114226828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).