N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide

C179H162F2N10O20 — CID 158585342

IUPACN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCOc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)cc2ncccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H25NO3.C24H22FNO3.C24H21NO4/c1-19-9-5-6-13-22(19)27(31)29-25(17-20-10-3-2-4-11-20)26(30)18-21-12-7-15-24-23(21)14-8-16-28-24;1-19-8-5-6-13-23(19)27(31)29-25(16-20-9-3-2-4-10-20)26(30)17-21-11-7-12-22-18-28-15-14-24(21)22;27-21-15-20(22-12-7-13-28-23(22)17-21)16-25(30)24(14-18-8-3-1-4-9-18)29-26(31)19-10-5-2-6-11-19;1-18-8-5-6-12-21(18)26(29)27-22(16-19-9-3-2-4-10-19)23(28)17-20-11-7-13-24-25(20)31-15-14-30-24;1-18-10-6-8-14-21(18)25(28)26-22(16-19-11-4-3-5-12-19)23(27)17-20-13-7-9-15-24(20)29-2;1-29-23-13-12-20(25)15-19(23)16-22(27)21(14-17-8-4-2-5-9-17)26-24(28)18-10-6-3-7-11-18;26-21(15-19-12-7-13-22-23(19)29-16-28-22)20(14-17-8-3-1-4-9-17)25-24(27)18-10-5-2-6-11-18/h2-16,25H,17-18H2,1H3,(H,29,31);2-15,18,25H,16-17H2,1H3,(H,29,31);1-13,15,17,24H,14,16H2,(H,29,31);2-13,22H,14-17H2,1H3,(H,27,29);3-15,22H,16-17H2,1-2H3,(H,26,28);2-13,15,21H,14,16H2,1H3,(H,26,28);1-13,20H,14-16H2,(H,25,27)
InChIKeyHTTJEHOKEHSXTP-UHFFFAOYSA-N
MW2811.31 g/mol
LogP29.55
Rot. Bonds51

About N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (PubChem CID 158585342) has the molecular formula C179H162F2N10O20 and a molecular weight of 2811.31 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
PubChem CID158585342
Molecular FormulaC179H162F2N10O20
Molecular Weight2811.31 g/mol
Exact Mass2809.19
IUPAC NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCOc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)cc2ncccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H25NO3.C24H22FNO3.C24H21NO4/c1-19-9-5-6-13-22(19)27(31)29-25(17-20-10-3-2-4-11-20)26(30)18-21-12-7-15-24-23(21)14-8-16-28-24;1-19-8-5-6-13-23(19)27(31)29-25(16-20-9-3-2-4-10-20)26(30)17-21-11-7-12-22-18-28-15-14-24(21)22;27-21-15-20(22-12-7-13-28-23(22)17-21)16-25(30)24(14-18-8-3-1-4-9-18)29-26(31)19-10-5-2-6-11-19;1-18-8-5-6-12-21(18)26(29)27-22(16-19-9-3-2-4-10-19)23(28)17-20-11-7-13-24-25(20)31-15-14-30-24;1-18-10-6-8-14-21(18)25(28)26-22(16-19-11-4-3-5-12-19)23(27)17-20-13-7-9-15-24(20)29-2;1-29-23-13-12-20(25)15-19(23)16-22(27)21(14-17-8-4-2-5-9-17)26-24(28)18-10-6-3-7-11-18;26-21(15-19-12-7-13-22-23(19)29-16-28-22)20(14-17-8-3-1-4-9-17)25-24(27)18-10-5-2-6-11-18/h2-16,25H,17-18H2,1H3,(H,29,31);2-15,18,25H,16-17H2,1H3,(H,29,31);1-13,15,17,24H,14,16H2,(H,29,31);2-13,22H,14-17H2,1H3,(H,27,29);3-15,22H,16-17H2,1-2H3,(H,26,28);2-13,15,21H,14,16H2,1H3,(H,26,28);1-13,20H,14-16H2,(H,25,27)
InChIKeyHTTJEHOKEHSXTP-UHFFFAOYSA-N
XLogP29.55
TPSA417.24 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds51
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002811.31
LogP ≤ 529.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (CID 158585342) is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide is COc1ccc(F)cc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)cc2ncccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
The InChIKey is HTTJEHOKEHSXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H25NO3.C24H22FNO3.C24H21NO4/c1-19-9-5-6-13-22(19)27(31)29-25(17-20-10-3-2-4-11-20)26(30)18-21-12-7-15-24-23(21)14-8-16-28-24;1-19-8-5-6-13-23(19)27(31)29-25(16-20-9-3-2-4-10-20)26(30)17-21-11-7-12-22-18-28-15-14-24(21)22;27-21-15-20(22-12-7-13-28-23(22)17-21)16-25(30)24(14-18-8-3-1-4-9-18)29-26(31)19-10-5-2-6-11-19;1-18-8-5-6-12-21(18)26(29)27-22(16-19-9-3-2-4-10-19)23(28)17-20-11-7-13-24-25(20)31-15-14-30-24;1-18-10-6-8-14-21(18)25(28)26-22(16-19-11-4-3-5-12-19)23(27)17-20-13-7-9-15-24(20)29-2;1-29-23-13-12-20(25)15-19(23)16-22(27)21(14-17-8-4-2-5-9-17)26-24(28)18-10-6-3-7-11-18;26-21(15-19-12-7-13-22-23(19)29-16-28-22)20(14-17-8-3-1-4-9-17)25-24(27)18-10-5-2-6-11-18/h2-16,25H,17-18H2,1H3,(H,29,31);2-15,18,25H,16-17H2,1H3,(H,29,31);1-13,15,17,24H,14,16H2,(H,29,31);2-13,22H,14-17H2,1H3,(H,27,29);3-15,22H,16-17H2,1-2H3,(H,26,28);2-13,15,21H,14,16H2,1H3,(H,26,28);1-13,20H,14-16H2,(H,25,27).
What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide?
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide has a molecular weight of 2811.31 g/mol, XLogP of 29.55, 51 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[4-(5-fluoro-2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide is sourced from PubChem (CID 158585342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).