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

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-(6-chloropyrazin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 104938117
N-(2-chloro-5-iodophenyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114258882
N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
CID 132971349
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
(1S)-N-(2-aminosulfanyl-4-pyridinyl)-3,3-difluorocyclohexane-1-carboxamide;1,2-dichlorobenzene
CID 177192771
N-(6-methylpyrazin-2-yl)cyclopropanecarboxamide
CID 118258313
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
CID 177192865
3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 177192498
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588

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).