5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H11ClFN3O — CID 62847042

IUPAC5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H11ClFN3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(14)2-3-12(11)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeyFHQDVCNVWXTYJW-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide

5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 62847042) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID62847042
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H11ClFN3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(14)2-3-12(11)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeyFHQDVCNVWXTYJW-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114559614
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980526
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 62847042) is 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(Cl)ccc2F)cn1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is FHQDVCNVWXTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(14)2-3-12(11)15/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 279.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 62847042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).