2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide

C98H80ClF7N22O6Se6 — CID 162038190

IUPAC2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide
SMILESCCn1nc(C)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3Cl)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3F)[se]2)n(C)n1.Cc1ccccc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe.C17H13FN2OSe.C16H15FN4OSe.C15H13ClN4OSe.C15H12F2N4OSe.C15H13FN4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22;1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18;1-3-21-13(8-10(2)20-21)14-9-18-16(23-14)19-15(22)11-6-4-5-7-12(11)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16;1-8-6-11(21(2)20-8)12-7-18-15(23-12)19-14(22)13-9(16)4-3-5-10(13)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16/h2-11H,1H3,(H,23,24,27);2-10H,1H3,(H,19,20,21);4-9H,3H2,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21);3-7H,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21)
InChIKeyYWXRGHNOGQZFPA-UHFFFAOYSA-N
MW2304.06 g/mol
LogP17.33
Rot. Bonds20

About 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide

2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide (PubChem CID 162038190) has the molecular formula C98H80ClF7N22O6Se6 and a molecular weight of 2304.06 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide
PubChem CID162038190
Molecular FormulaC98H80ClF7N22O6Se6
Molecular Weight2304.06 g/mol
Exact Mass2308.12
IUPAC Name2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide
SMILESCCn1nc(C)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3Cl)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3F)[se]2)n(C)n1.Cc1ccccc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe.C17H13FN2OSe.C16H15FN4OSe.C15H13ClN4OSe.C15H12F2N4OSe.C15H13FN4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22;1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18;1-3-21-13(8-10(2)20-21)14-9-18-16(23-14)19-15(22)11-6-4-5-7-12(11)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16;1-8-6-11(21(2)20-8)12-7-18-15(23-12)19-14(22)13-9(16)4-3-5-10(13)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16/h2-11H,1H3,(H,23,24,27);2-10H,1H3,(H,19,20,21);4-9H,3H2,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21);3-7H,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21)
InChIKeyYWXRGHNOGQZFPA-UHFFFAOYSA-N
XLogP17.33
TPSA341.04 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.06
LogP ≤ 517.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide (CID 162038190) is 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide is CCn1nc(C)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3Cl)[se]2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3ccccc3F)[se]2)n(C)n1.Cc1ccccc1-c1cnc(NC(=O)c2ccccc2F)[se]1.Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.
What is the InChIKey of 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide?
The InChIKey is YWXRGHNOGQZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OSe.C17H13FN2OSe.C16H15FN4OSe.C15H13ClN4OSe.C15H12F2N4OSe.C15H13FN4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22;1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18;1-3-21-13(8-10(2)20-21)14-9-18-16(23-14)19-15(22)11-6-4-5-7-12(11)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16;1-8-6-11(21(2)20-8)12-7-18-15(23-12)19-14(22)13-9(16)4-3-5-10(13)17;1-9-7-12(20(2)19-9)13-8-17-15(22-13)18-14(21)10-5-3-4-6-11(10)16/h2-11H,1H3,(H,23,24,27);2-10H,1H3,(H,19,20,21);4-9H,3H2,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21);3-7H,1-2H3,(H,18,19,22);3-8H,1-2H3,(H,17,18,21).
What are the key properties of 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide?
2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide has a molecular weight of 2304.06 g/mol, XLogP of 17.33, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]benzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2,6-difluorobenzamide;N-[5-(2,5-dimethylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;N-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-selenazol-2-yl]-2-fluorobenzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;2-fluoro-N-[5-(2-methylphenyl)-1,3-selenazol-2-yl]benzamide is sourced from PubChem (CID 162038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).