5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide

C13H11ClFN3O — CID 107236590

IUPAC5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C13H11ClFN3O/c1-8(9-3-2-4-10(15)5-9)18-13(19)11-6-17-12(14)7-16-11/h2-8H,1H3,(H,18,19)
InChIKeyODHQTADXHJOLBU-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.76
Rot. Bonds3

About 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 107236590) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID107236590
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C13H11ClFN3O/c1-8(9-3-2-4-10(15)5-9)18-13(19)11-6-17-12(14)7-16-11/h2-8H,1H3,(H,18,19)
InChIKeyODHQTADXHJOLBU-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
6-(4-chlorophenyl)-2-(2-chloropyrimidin-5-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 165389701
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 107236590) is 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Cl)cn1)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ODHQTADXHJOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-8(9-3-2-4-10(15)5-9)18-13(19)11-6-17-12(14)7-16-11/h2-8H,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107236590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).