N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide

C11H12ClF2N3O — CID 107595812

IUPACN-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H12ClF2N3O/c12-8-5-16-9(6-15-8)17-10(18)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyDQXIYUNHYFRKOH-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.89
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 107595812) has the molecular formula C11H12ClF2N3O and a molecular weight of 275.69 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID107595812
Molecular FormulaC11H12ClF2N3O
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC NameN-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H12ClF2N3O/c12-8-5-16-9(6-15-8)17-10(18)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyDQXIYUNHYFRKOH-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-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
CID 134542828
N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
CID 107595679
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828
N-(5-chloropyrazin-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 107595794
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide
CID 166456827
N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 107595846
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
CID 104964213
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 107595812) is N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide is O=C(Nc1cnc(Cl)cn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is DQXIYUNHYFRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O/c12-8-5-16-9(6-15-8)17-10(18)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2,(H,16,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(5-chloropyrazin-2-yl)-4,4-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-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 107595812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).