N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide

C12H9BrClN3O — CID 71655509

IUPACN-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C12H9BrClN3O/c13-9-3-1-8(2-4-9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H,17,18)
InChIKeyMEHRTHGAJPXSAH-UHFFFAOYSA-N
MW326.58 g/mol
LogP2.82
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide

N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide (PubChem CID 71655509) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide
PubChem CID71655509
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C12H9BrClN3O/c13-9-3-1-8(2-4-9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H,17,18)
InChIKeyMEHRTHGAJPXSAH-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide (CID 71655509) is N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide is O=C(NCc1ccc(Br)cc1)c1cnc(Cl)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide?
The InChIKey is MEHRTHGAJPXSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-3-1-8(2-4-9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide?
N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 71655509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).