5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide

C22H18ClF2N3O2 — CID 42162167

IUPAC5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
SMILESCc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)c2cc(Cl)ccc2F)O3)n1
InChIInChI=1S/C22H18ClF2N3O2/c1-11-9-26-12(2)20(28-11)13-5-14-6-16(30-21(14)19(25)7-13)10-27-22(29)17-8-15(23)3-4-18(17)24/h3-5,7-9,16H,6,10H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyQETYEPUPQMYRLA-MRXNPFEDSA-N
MW429.85 g/mol
LogP4.43
Rot. Bonds4

About 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide

5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide (PubChem CID 42162167) has the molecular formula C22H18ClF2N3O2 and a molecular weight of 429.85 g/mol. Its IUPAC name is 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
PubChem CID42162167
Molecular FormulaC22H18ClF2N3O2
Molecular Weight429.85 g/mol
Exact Mass429.11
IUPAC Name5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
SMILESCc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)c2cc(Cl)ccc2F)O3)n1
InChIInChI=1S/C22H18ClF2N3O2/c1-11-9-26-12(2)20(28-11)13-5-14-6-16(30-21(14)19(25)7-13)10-27-22(29)17-8-15(23)3-4-18(17)24/h3-5,7-9,16H,6,10H2,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeyQETYEPUPQMYRLA-MRXNPFEDSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide 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 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide (CID 42162167) is 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide is Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)c2cc(Cl)ccc2F)O3)n1.
What is the InChIKey of 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is QETYEPUPQMYRLA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H18ClF2N3O2/c1-11-9-26-12(2)20(28-11)13-5-14-6-16(30-21(14)19(25)7-13)10-27-22(29)17-8-15(23)3-4-18(17)24/h3-5,7-9,16H,6,10H2,1-2H3,(H,27,29)/t16-/m1/s1.
What are the key properties of 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide?
5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 429.85 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42162167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).