N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide

C180H158N10O18S — CID 159498778

About N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide

N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide (PubChem CID 159498778) has the molecular formula C180H158N10O18S and a molecular weight of 2781.36 g/mol. Its IUPAC name is N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
• PubChem CID: 159498778
• Molecular Formula: C180H158N10O18S
• Molecular Weight: 2781.36 g/mol
• Exact Mass: 2779.15
• IUPAC Name: N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
• SMILES: O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCCC2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cccnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccoc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1
• InChI: InChI=1S/C27H27NO3.3C26H22N2O2.C25H23NO4.C25H21NO3.C25H21NO2S/c29-23-15-13-19(14-16-23)17-25(28-27(31)21-8-2-1-3-9-21)26(30)18-22-11-6-10-20-7-4-5-12-24(20)22;29-25(18-21-13-7-15-23-22(21)14-8-16-27-23)24(17-19-9-3-1-4-10-19)28-26(30)20-11-5-2-6-12-20;29-24(18-22-14-7-13-20-15-8-16-27-25(20)22)23(17-19-9-3-1-4-10-19)28-26(30)21-11-5-2-6-12-21;29-25(17-21-12-7-13-22-18-27-15-14-23(21)22)24(16-19-8-3-1-4-9-19)28-26(30)20-10-5-2-6-11-20;27-22(17-20-12-7-13-23-24(20)30-15-14-29-23)21(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19;2*27-23(17-21-13-7-12-19-14-15-29-24(19)21)22(16-18-8-3-1-4-9-18)26-25(28)20-10-5-2-6-11-20/h1-3,6,8-11,13-16,25,29H,4-5,7,12,17-18H2,(H,28,31);1-16,24H,17-18H2,(H,28,30);1-16,23H,17-18H2,(H,28,30);1-15,18,24H,16-17H2,(H,28,30);1-13,21H,14-17H2,(H,26,28);2*1-15,22H,16-17H2,(H,26,28)
• InChIKey: LZCROHAEWYLXOI-UHFFFAOYSA-N
• XLogP: 30.84
• TPSA: 413.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 49
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.36
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?

The IUPAC name of N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide (CID 159498778) is N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide.

What is the SMILES notation for N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?

The canonical SMILES for N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide is O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCCC2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cccnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccoc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1.

What is the InChIKey of N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?

The InChIKey is LZCROHAEWYLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3.3C26H22N2O2.C25H23NO4.C25H21NO3.C25H21NO2S/c29-23-15-13-19(14-16-23)17-25(28-27(31)21-8-2-1-3-9-21)26(30)18-22-11-6-10-20-7-4-5-12-24(20)22;29-25(18-21-13-7-15-23-22(21)14-8-16-27-23)24(17-19-9-3-1-4-10-19)28-26(30)20-11-5-2-6-12-20;29-24(18-22-14-7-13-20-15-8-16-27-25(20)22)23(17-19-9-3-1-4-10-19)28-26(30)21-11-5-2-6-12-21;29-25(17-21-12-7-13-22-18-27-15-14-23(21)22)24(16-19-8-3-1-4-9-19)28-26(30)20-10-5-2-6-11-20;27-22(17-20-12-7-13-23-24(20)30-15-14-29-23)21(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19;2*27-23(17-21-13-7-12-19-14-15-29-24(19)21)22(16-18-8-3-1-4-9-18)26-25(28)20-10-5-2-6-11-20/h1-3,6,8-11,13-16,25,29H,4-5,7,12,17-18H2,(H,28,31);1-16,24H,17-18H2,(H,28,30);1-16,23H,17-18H2,(H,28,30);1-15,18,24H,16-17H2,(H,28,30);1-13,21H,14-17H2,(H,26,28);2*1-15,22H,16-17H2,(H,26,28).

What are the key properties of N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?

N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide has a molecular weight of 2781.36 g/mol, XLogP of 30.84, 49 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1-benzothiophen-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide is sourced from PubChem (CID 159498778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).