5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide

C102H75Cl10F8N31O10S — CID 158858524

IUPAC5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3cnc(Cl)nc3)cc2c1.Cc1c(C(=O)Nc2cnc(Cl)nc2)[nH]c2ccccc12.O=C(Nc1cnc(C(F)(F)F)nc1)c1ccc(F)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(-n2ccnc2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)o1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C15H14ClFN4O2.C15H14ClFN4O.C15H13ClN4O.C14H9ClFN5O.C14H11ClN4O.C12H6F5N3O.C9H5Cl2N3O2.C8H3Cl3N4OS/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21;16-15-18-8-11(9-19-15)20-14(22)10-3-4-13(12(17)7-10)21-5-1-2-6-21;1-2-9-3-4-12-10(5-9)6-13(20-12)14(21)19-11-7-17-15(16)18-8-11;15-14-18-6-10(7-19-14)20-13(22)9-1-2-12(11(16)5-9)21-4-3-17-8-21;1-8-10-4-2-3-5-11(10)19-12(8)13(20)18-9-6-16-14(15)17-7-9;13-8-2-1-6(3-9(8)14)10(21)20-7-4-18-11(19-5-7)12(15,16)17;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5;9-4-5(15-17-6(4)10)7(16)14-3-1-12-8(11)13-2-3/h1-2,7-9H,3-6H2,(H,20,22);3-4,7-9H,1-2,5-6H2,(H,20,22);3-8,20H,2H2,1H3,(H,19,21);1-8H,(H,20,22);2-7,19H,1H3,(H,18,20);1-5H,(H,20,21);1-4H,(H,14,15);1-2H,(H,14,16)
InChIKeyJAJDGWRPASVCDX-UHFFFAOYSA-N
MW2433.51 g/mol
LogP23.58
Rot. Bonds20

About 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide

5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide (PubChem CID 158858524) has the molecular formula C102H75Cl10F8N31O10S and a molecular weight of 2433.51 g/mol. Its IUPAC name is 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
PubChem CID158858524
Molecular FormulaC102H75Cl10F8N31O10S
Molecular Weight2433.51 g/mol
Exact Mass2427.28
IUPAC Name5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3cnc(Cl)nc3)cc2c1.Cc1c(C(=O)Nc2cnc(Cl)nc2)[nH]c2ccccc12.O=C(Nc1cnc(C(F)(F)F)nc1)c1ccc(F)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(-n2ccnc2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)o1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C15H14ClFN4O2.C15H14ClFN4O.C15H13ClN4O.C14H9ClFN5O.C14H11ClN4O.C12H6F5N3O.C9H5Cl2N3O2.C8H3Cl3N4OS/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21;16-15-18-8-11(9-19-15)20-14(22)10-3-4-13(12(17)7-10)21-5-1-2-6-21;1-2-9-3-4-12-10(5-9)6-13(20-12)14(21)19-11-7-17-15(16)18-8-11;15-14-18-6-10(7-19-14)20-13(22)9-1-2-12(11(16)5-9)21-4-3-17-8-21;1-8-10-4-2-3-5-11(10)19-12(8)13(20)18-9-6-16-14(15)17-7-9;13-8-2-1-6(3-9(8)14)10(21)20-7-4-18-11(19-5-7)12(15,16)17;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5;9-4-5(15-17-6(4)10)7(16)14-3-1-12-8(11)13-2-3/h1-2,7-9H,3-6H2,(H,20,22);3-4,7-9H,1-2,5-6H2,(H,20,22);3-8,20H,2H2,1H3,(H,19,21);1-8H,(H,20,22);2-7,19H,1H3,(H,18,20);1-5H,(H,20,21);1-4H,(H,14,15);1-2H,(H,14,16)
InChIKeyJAJDGWRPASVCDX-UHFFFAOYSA-N
XLogP23.58
TPSA530.18 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.51
LogP ≤ 523.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The IUPAC name of 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide (CID 158858524) is 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide is CCc1ccc2[nH]c(C(=O)Nc3cnc(Cl)nc3)cc2c1.Cc1c(C(=O)Nc2cnc(Cl)nc2)[nH]c2ccccc12.O=C(Nc1cnc(C(F)(F)F)nc1)c1ccc(F)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(-n2ccnc2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)o1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1.O=C(Nc1cnc(Cl)nc1)c1nsc(Cl)c1Cl.
What is the InChIKey of 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The InChIKey is JAJDGWRPASVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O2.C15H14ClFN4O.C15H13ClN4O.C14H9ClFN5O.C14H11ClN4O.C12H6F5N3O.C9H5Cl2N3O2.C8H3Cl3N4OS/c16-15-18-8-11(9-19-15)20-14(22)10-1-2-13(12(17)7-10)21-3-5-23-6-4-21;16-15-18-8-11(9-19-15)20-14(22)10-3-4-13(12(17)7-10)21-5-1-2-6-21;1-2-9-3-4-12-10(5-9)6-13(20-12)14(21)19-11-7-17-15(16)18-8-11;15-14-18-6-10(7-19-14)20-13(22)9-1-2-12(11(16)5-9)21-4-3-17-8-21;1-8-10-4-2-3-5-11(10)19-12(8)13(20)18-9-6-16-14(15)17-7-9;13-8-2-1-6(3-9(8)14)10(21)20-7-4-18-11(19-5-7)12(15,16)17;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5;9-4-5(15-17-6(4)10)7(16)14-3-1-12-8(11)13-2-3/h1-2,7-9H,3-6H2,(H,20,22);3-4,7-9H,1-2,5-6H2,(H,20,22);3-8,20H,2H2,1H3,(H,19,21);1-8H,(H,20,22);2-7,19H,1H3,(H,18,20);1-5H,(H,20,21);1-4H,(H,14,15);1-2H,(H,14,16).
What are the key properties of 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide has a molecular weight of 2433.51 g/mol, XLogP of 23.58, 20 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloropyrimidin-5-yl)furan-2-carboxamide;N-(2-chloropyrimidin-5-yl)-5-ethyl-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-imidazol-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-morpholin-4-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-pyrrolidin-1-ylbenzamide;N-(2-chloropyrimidin-5-yl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,2-thiazole-3-carboxamide;3,4-difluoro-N-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 158858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).