3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide

C17H10ClF2N3O — CID 126755030

IUPAC3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1nccnc1Cl
InChIInChI=1S/C17H10ClF2N3O/c18-16-15(21-7-8-22-16)17(24)23-14-4-2-1-3-11(14)10-5-6-12(19)13(20)9-10/h1-9H,(H,23,24)
InChIKeyNBXZBYCYPKAUKB-UHFFFAOYSA-N
MW345.74 g/mol
LogP4.33
Rot. Bonds3

About 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide

3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide (PubChem CID 126755030) has the molecular formula C17H10ClF2N3O and a molecular weight of 345.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
PubChem CID126755030
Molecular FormulaC17H10ClF2N3O
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1nccnc1Cl
InChIInChI=1S/C17H10ClF2N3O/c18-16-15(21-7-8-22-16)17(24)23-14-4-2-1-3-11(14)10-5-6-12(19)13(20)9-10/h1-9H,(H,23,24)
InChIKeyNBXZBYCYPKAUKB-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 22622779
2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide
CID 138396143
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 87799735
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638497
3,6-dichloro-N-(2-phenylphenyl)pyridine-2-carboxamide
CID 26727633
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide (CID 126755030) is 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is NBXZBYCYPKAUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O/c18-16-15(21-7-8-22-16)17(24)23-14-4-2-1-3-11(14)10-5-6-12(19)13(20)9-10/h1-9H,(H,23,24).
What are the key properties of 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide?
3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 345.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 126755030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).