3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C20H15ClFN3O2 — CID 45165574

IUPAC3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-16-9-13(4-5-17(16)22)20(26)25-10-14-8-12-2-1-3-15(19(12)27-14)18-11-23-6-7-24-18/h1-7,9,11,14H,8,10H2,(H,25,26)
InChIKeyFEAJJIZYCVRKPI-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45165574) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45165574
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-16-9-13(4-5-17(16)22)20(26)25-10-14-8-12-2-1-3-15(19(12)27-14)18-11-23-6-7-24-18/h1-7,9,11,14H,8,10H2,(H,25,26)
InChIKeyFEAJJIZYCVRKPI-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide 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 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45165574) is 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cccc(-c3cnccn3)c2O1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is FEAJJIZYCVRKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-16-9-13(4-5-17(16)22)20(26)25-10-14-8-12-2-1-3-15(19(12)27-14)18-11-23-6-7-24-18/h1-7,9,11,14H,8,10H2,(H,25,26).
What are the key properties of 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 383.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45165574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).