N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide

C14H12BrN3O2 — CID 104773207

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1cnccn1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-9-1-4-20-13(9)10(6-11)7-18-14(19)12-8-16-2-3-17-12/h2-3,5-6,8H,1,4,7H2,(H,18,19)
InChIKeyJLFCGJDURJHTIJ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.10
Rot. Bonds3

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide (PubChem CID 104773207) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
PubChem CID104773207
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1cnccn1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-9-1-4-20-13(9)10(6-11)7-18-14(19)12-8-16-2-3-17-12/h2-3,5-6,8H,1,4,7H2,(H,18,19)
InChIKeyJLFCGJDURJHTIJ-UHFFFAOYSA-N
XLogP2.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-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

Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
CID 104703479
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
CID 104702827
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
CID 104702853
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104702888
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
CID 104702761
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-cyclohexylurea
CID 104702895
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(methylamino)propanamide
CID 113443019
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 104702727

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide (CID 104773207) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1cc(Br)cc2c1OCC2)c1cnccn1.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is JLFCGJDURJHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-5-9-1-4-20-13(9)10(6-11)7-18-14(19)12-8-16-2-3-17-12/h2-3,5-6,8H,1,4,7H2,(H,18,19).
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 104773207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).