2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide

C143H133F4N11O17S3 — CID 159903913

IUPAC2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1C.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1F.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccs1
InChIInChI=1S/C25H24FNO3.C25H23N3O2.C25H26N2O4S.C24H21F2NO3.C22H20FNO3S.C22H19N3O2S/c1-16-7-10-20(26)14-19(16)15-24(29)23(13-18-8-11-21(28)12-9-18)27-25(30)22-6-4-3-5-17(22)2;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;28-20-9-7-18(8-10-20)16-21(26-25(30)24-6-3-15-32-24)23(29)17-19-4-1-2-5-22(19)27-11-13-31-14-12-27;1-15-6-9-18(25)13-17(15)14-23(29)22(12-16-7-10-19(28)11-8-16)27-24(30)20-4-2-3-5-21(20)26;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;26-20(13-16-8-4-9-18-17(16)14-23-25-18)19(12-15-6-2-1-3-7-15)24-22(27)21-10-5-11-28-21/h3-12,14,23,28H,13,15H2,1-2H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-10,15,21,28H,11-14,16-17H2,(H,26,30);2-11,13,22,28H,12,14H2,1H3,(H,27,30);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,14,19H,12-13H2,(H,23,25)(H,24,27)
InChIKeyNWHWMNYVZSKKPW-UHFFFAOYSA-N
MW2449.89 g/mol
LogP23.73
Rot. Bonds43

About 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide

2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 159903913) has the molecular formula C143H133F4N11O17S3 and a molecular weight of 2449.89 g/mol. Its IUPAC name is 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
PubChem CID159903913
Molecular FormulaC143H133F4N11O17S3
Molecular Weight2449.89 g/mol
Exact Mass2447.90
IUPAC Name2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1C.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1F.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccs1
InChIInChI=1S/C25H24FNO3.C25H23N3O2.C25H26N2O4S.C24H21F2NO3.C22H20FNO3S.C22H19N3O2S/c1-16-7-10-20(26)14-19(16)15-24(29)23(13-18-8-11-21(28)12-9-18)27-25(30)22-6-4-3-5-17(22)2;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;28-20-9-7-18(8-10-20)16-21(26-25(30)24-6-3-15-32-24)23(29)17-19-4-1-2-5-22(19)27-11-13-31-14-12-27;1-15-6-9-18(25)13-17(15)14-23(29)22(12-16-7-10-19(28)11-8-16)27-24(30)20-4-2-3-5-21(20)26;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;26-20(13-16-8-4-9-18-17(16)14-23-25-18)19(12-15-6-2-1-3-7-15)24-22(27)21-10-5-11-28-21/h3-12,14,23,28H,13,15H2,1-2H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-10,15,21,28H,11-14,16-17H2,(H,26,30);2-11,13,22,28H,12,14H2,1H3,(H,27,30);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,14,19H,12-13H2,(H,23,25)(H,24,27)
InChIKeyNWHWMNYVZSKKPW-UHFFFAOYSA-N
XLogP23.73
TPSA427.77 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds43
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002449.89
LogP ≤ 523.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide (CID 159903913) is 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide is Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1C.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1F.Cc1ccc(F)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1ccccc1N1CCOCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1cccs1.
What is the InChIKey of 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
The InChIKey is NWHWMNYVZSKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3.C25H23N3O2.C25H26N2O4S.C24H21F2NO3.C22H20FNO3S.C22H19N3O2S/c1-16-7-10-20(26)14-19(16)15-24(29)23(13-18-8-11-21(28)12-9-18)27-25(30)22-6-4-3-5-17(22)2;1-17-8-5-6-12-20(17)25(30)27-23(14-18-9-3-2-4-10-18)24(29)15-19-11-7-13-22-21(19)16-26-28-22;28-20-9-7-18(8-10-20)16-21(26-25(30)24-6-3-15-32-24)23(29)17-19-4-1-2-5-22(19)27-11-13-31-14-12-27;1-15-6-9-18(25)13-17(15)14-23(29)22(12-16-7-10-19(28)11-8-16)27-24(30)20-4-2-3-5-21(20)26;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;26-20(13-16-8-4-9-18-17(16)14-23-25-18)19(12-15-6-2-1-3-7-15)24-22(27)21-10-5-11-28-21/h3-12,14,23,28H,13,15H2,1-2H3,(H,27,30);2-13,16,23H,14-15H2,1H3,(H,26,28)(H,27,30);1-10,15,21,28H,11-14,16-17H2,(H,26,30);2-11,13,22,28H,12,14H2,1H3,(H,27,30);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,14,19H,12-13H2,(H,23,25)(H,24,27).
What are the key properties of 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide?
2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 2449.89 g/mol, XLogP of 23.73, 43 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159903913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).