N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide

C15H15BrFN3O — CID 52572819

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(C)cn1
InChIInChI=1S/C15H15BrFN3O/c1-3-20(9-11-6-12(16)4-5-13(11)17)15(21)14-8-18-10(2)7-19-14/h4-8H,3,9H2,1-2H3
InChIKeyAVDQMQGCOAQJTC-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.35
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide (PubChem CID 52572819) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide
PubChem CID52572819
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(C)cn1
InChIInChI=1S/C15H15BrFN3O/c1-3-20(9-11-6-12(16)4-5-13(11)17)15(21)14-8-18-10(2)7-19-14/h4-8H,3,9H2,1-2H3
InChIKeyAVDQMQGCOAQJTC-UHFFFAOYSA-N
XLogP3.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide (CID 52572819) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide?
The InChIKey is AVDQMQGCOAQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-3-20(9-11-6-12(16)4-5-13(11)17)15(21)14-8-18-10(2)7-19-14/h4-8H,3,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 52572819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).