5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide

C100H62Cl10F3N29O9S2 — CID 158899113

IUPAC5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc3cc(F)ccc3[nH]2)cn1.N#Cc1cc(C(=O)Nc2cnc(Cl)nc2)ccc1F.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2o1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(F)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2s1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11FN4O.C13H8Cl2N4O.C13H7Cl2N3O2.C13H8ClFN4O.C13H9ClN4O.C13H8ClN3OS.C12H6ClFN4O.C9H5Cl2N3OS/c1-8-16-6-11(7-17-8)18-14(20)13-5-9-4-10(15)2-3-12(9)19-13;14-8-1-2-10-7(3-8)4-11(19-10)12(20)18-9-5-16-13(15)17-6-9;14-8-1-2-10-7(3-8)4-11(20-10)12(19)18-9-5-16-13(15)17-6-9;14-13-16-5-9(6-17-13)18-12(20)11-4-7-3-8(15)1-2-10(7)19-11;14-13-15-6-9(7-16-13)17-12(19)11-5-8-3-1-2-4-10(8)18-11;14-13-15-6-9(7-16-13)17-12(18)11-5-8-3-1-2-4-10(8)19-11;13-12-16-5-9(6-17-12)18-11(19)7-1-2-10(14)8(3-7)4-15;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5/h2-7,19H,1H3,(H,18,20);1-6,19H,(H,18,20);1-6H,(H,18,19);1-6,19H,(H,18,20);1-7,18H,(H,17,19);1-7H,(H,17,18);1-3,5-6H,(H,18,19);1-4H,(H,14,15)
InChIKeyJFFAJIMKJWAHEM-UHFFFAOYSA-N
MW2289.45 g/mol
LogP24.91
Rot. Bonds16

About 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide

5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide (PubChem CID 158899113) has the molecular formula C100H62Cl10F3N29O9S2 and a molecular weight of 2289.45 g/mol. Its IUPAC name is 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide
PubChem CID158899113
Molecular FormulaC100H62Cl10F3N29O9S2
Molecular Weight2289.45 g/mol
Exact Mass2283.16
IUPAC Name5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc3cc(F)ccc3[nH]2)cn1.N#Cc1cc(C(=O)Nc2cnc(Cl)nc2)ccc1F.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2o1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(F)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2s1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11FN4O.C13H8Cl2N4O.C13H7Cl2N3O2.C13H8ClFN4O.C13H9ClN4O.C13H8ClN3OS.C12H6ClFN4O.C9H5Cl2N3OS/c1-8-16-6-11(7-17-8)18-14(20)13-5-9-4-10(15)2-3-12(9)19-13;14-8-1-2-10-7(3-8)4-11(19-10)12(20)18-9-5-16-13(15)17-6-9;14-8-1-2-10-7(3-8)4-11(20-10)12(19)18-9-5-16-13(15)17-6-9;14-13-16-5-9(6-17-13)18-12(20)11-4-7-3-8(15)1-2-10(7)19-11;14-13-15-6-9(7-16-13)17-12(19)11-5-8-3-1-2-4-10(8)18-11;14-13-15-6-9(7-16-13)17-12(18)11-5-8-3-1-2-4-10(8)19-11;13-12-16-5-9(6-17-12)18-11(19)7-1-2-10(14)8(3-7)4-15;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5/h2-7,19H,1H3,(H,18,20);1-6,19H,(H,18,20);1-6H,(H,18,19);1-6,19H,(H,18,20);1-7,18H,(H,17,19);1-7H,(H,17,18);1-3,5-6H,(H,18,19);1-4H,(H,14,15)
InChIKeyJFFAJIMKJWAHEM-UHFFFAOYSA-N
XLogP24.91
TPSA539.13 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002289.45
LogP ≤ 524.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

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
5-chloro-N-(6-chloro-3-pyridinyl)-1-benzofuran-2-carboxamide;5-chloro-N-(6-chloro-3-pyridinyl)furan-2-carboxamide;5-chloro-N-(6-chloro-3-pyridinyl)-1H-indole-2-carboxamide;5-chloro-N-(6-chloro-3-pyridinyl)thiophene-2-carboxamide;N-(6-chloro-3-pyridinyl)-5-fluoro-1H-indole-2-carboxamide;N-(6-chloro-3-pyridinyl)-3-methyl-1H-indole-2-carboxamide;4,5-dichloro-N-(6-chloro-3-pyridinyl)-1,2-thiazole-3-carboxamide
CID 159239883
[7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile
CID 161391364

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide (CID 158899113) is 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide is Cc1ncc(NC(=O)c2cc3cc(F)ccc3[nH]2)cn1.N#Cc1cc(C(=O)Nc2cnc(Cl)nc2)ccc1F.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(Cl)ccc2o1.O=C(Nc1cnc(Cl)nc1)c1cc2cc(F)ccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2[nH]1.O=C(Nc1cnc(Cl)nc1)c1cc2ccccc2s1.O=C(Nc1cnc(Cl)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The InChIKey is JFFAJIMKJWAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O.C13H8Cl2N4O.C13H7Cl2N3O2.C13H8ClFN4O.C13H9ClN4O.C13H8ClN3OS.C12H6ClFN4O.C9H5Cl2N3OS/c1-8-16-6-11(7-17-8)18-14(20)13-5-9-4-10(15)2-3-12(9)19-13;14-8-1-2-10-7(3-8)4-11(19-10)12(20)18-9-5-16-13(15)17-6-9;14-8-1-2-10-7(3-8)4-11(20-10)12(19)18-9-5-16-13(15)17-6-9;14-13-16-5-9(6-17-13)18-12(20)11-4-7-3-8(15)1-2-10(7)19-11;14-13-15-6-9(7-16-13)17-12(19)11-5-8-3-1-2-4-10(8)18-11;14-13-15-6-9(7-16-13)17-12(18)11-5-8-3-1-2-4-10(8)19-11;13-12-16-5-9(6-17-12)18-11(19)7-1-2-10(14)8(3-7)4-15;10-7-2-1-6(16-7)8(15)14-5-3-12-9(11)13-4-5/h2-7,19H,1H3,(H,18,20);1-6,19H,(H,18,20);1-6H,(H,18,19);1-6,19H,(H,18,20);1-7,18H,(H,17,19);1-7H,(H,17,18);1-3,5-6H,(H,18,19);1-4H,(H,14,15).
What are the key properties of 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide?
5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide has a molecular weight of 2289.45 g/mol, XLogP of 24.91, 16 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloropyrimidin-5-yl)-1-benzofuran-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-chloropyrimidin-5-yl)thiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1-benzothiophene-2-carboxamide;N-(2-chloropyrimidin-5-yl)-3-cyano-4-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-5-fluoro-1H-indole-2-carboxamide;N-(2-chloropyrimidin-5-yl)-1H-indole-2-carboxamide;5-fluoro-N-(2-methylpyrimidin-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158899113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).