2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H11Br2N3O — CID 114019978

IUPAC2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br2N3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-3-2-9(14)4-12(11)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeySKNDBTJKIDBQCI-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.24
Rot. Bonds3

About 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 114019978) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID114019978
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC Name2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H11Br2N3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-3-2-9(14)4-12(11)15/h2-6H,7H2,1H3,(H,18,19)
InChIKeySKNDBTJKIDBQCI-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
4-bromo-2-[(5-methylpyrazin-2-yl)methylamino]benzoic acid
CID 114907355
2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114559614
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 114019978) is 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is SKNDBTJKIDBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c1-8-5-17-10(6-16-8)7-18-13(19)11-3-2-9(14)4-12(11)15/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 385.06 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 114019978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).