N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide

C12H9ClFN3O — CID 110482106

IUPACN-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)c1cnccn1
InChIInChI=1S/C12H9ClFN3O/c13-9-2-1-8(10(14)5-9)6-17-12(18)11-7-15-3-4-16-11/h1-5,7H,6H2,(H,17,18)
InChIKeyJZSZSPOYECVRSU-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.20
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide

N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 110482106) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID110482106
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)c1cnccn1
InChIInChI=1S/C12H9ClFN3O/c13-9-2-1-8(10(14)5-9)6-17-12(18)11-7-15-3-4-16-11/h1-5,7H,6H2,(H,17,18)
InChIKeyJZSZSPOYECVRSU-UHFFFAOYSA-N
XLogP2.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788502
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 110794198
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-[(2,5-dimethylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 56765538
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 110482106) is N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1F)c1cnccn1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is JZSZSPOYECVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-9-2-1-8(10(14)5-9)6-17-12(18)11-7-15-3-4-16-11/h1-5,7H,6H2,(H,17,18).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide?
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110482106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).