3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide

C16H12ClN3O2 — CID 121198851

IUPAC3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-12-4-1-3-11(9-12)16(21)20-10-13-15(19-7-6-18-13)14-5-2-8-22-14/h1-9H,10H2,(H,20,21)
InChIKeyVMRBQQGIEOIWDI-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide

3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide (PubChem CID 121198851) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
PubChem CID121198851
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-12-4-1-3-11(9-12)16(21)20-10-13-15(19-7-6-18-13)14-5-2-8-22-14/h1-9H,10H2,(H,20,21)
InChIKeyVMRBQQGIEOIWDI-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 121198817
5-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 119105906
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 119105875
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
CID 171136911

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide (CID 121198851) is 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide is O=C(NCc1nccnc1-c1ccco1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The InChIKey is VMRBQQGIEOIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-4-1-3-11(9-12)16(21)20-10-13-15(19-7-6-18-13)14-5-2-8-22-14/h1-9H,10H2,(H,20,21).
What are the key properties of 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 121198851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).