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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide

C155H137FN10O17 — CID 158779905

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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)cc2ncccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H22N2O3.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;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;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);1-14,22,26,28H,15-16H2,(H,27,30);1-13,20H,14-16H2,(H,25,27)
InChIKeyIQYBXCYGWLFKJS-UHFFFAOYSA-N
MW2430.85 g/mol
LogP25.43
Rot. Bonds42

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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (PubChem CID 158779905) has the molecular formula C155H137FN10O17 and a molecular weight of 2430.85 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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
PubChem CID158779905
Molecular FormulaC155H137FN10O17
Molecular Weight2430.85 g/mol
Exact Mass2429.01
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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cc(F)cc2ncccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1
InChIInChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H22N2O3.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;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;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);1-14,22,26,28H,15-16H2,(H,27,30);1-13,20H,14-16H2,(H,25,27)
InChIKeyIQYBXCYGWLFKJS-UHFFFAOYSA-N
XLogP25.43
TPSA388.63 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.85
LogP ≤ 525.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propyl]-1H-indole-2-carboxamide bromide
CID 70683424
US9120791, Example 74
CID 117874428
US9765056, Example 44
CID 90646049
N-(4-Hydroxyphenyl)-N-(1-methyl-1H-indol-5-yl)-3-{6-[((3S)-3-[(4-methyl-1-piperazinyl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-1,3-benzodioxol-5-yl}-5,6,7,8-tetrahydro-1-indolizine carboxamide
CID 138106616
Luchunazine C
CID 146684304
4-tert-butyl-2,2-difluoro-1,3-benzodioxole;1-tert-butyl-2-(difluoromethoxy)benzene;1-tert-butyl-3,4-difluoro-2-methylbenzene;tris(1-tert-butyl-3,5-difluoro-2-methylbenzene);5-tert-butyl-2,3-dihydro-1,4-benzodioxine;hexakis(1-tert-butyl-2,4-dimethylbenzene);bis(1-tert-butyl-2-(fluoromethoxy)-4-methylbenzene);4-tert-butyl-1H-indole;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-5-methylphenol;3-tert-butylnaphthalene-2-carboxamide;2-tert-butylphenol;naphthalene
CID 160457708
N-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propyl]-1H-indole-2-carboxamide
CID 70683425
7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide
CID 71537522
3-[butyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-methoxy-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(5-fluoro-1H-indol-3-yl)propyl-propan-2-ylamino]-8-methoxy-3,4-dihydro-2H-chromene-5-carboxamide
CID 69240821
N-(4-hydroxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-[6-[(3S)-3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]pyrrole-3-carboxamide
CID 117830881
N-(4-hydroxyphenyl)-N-(1-methylindol-5-yl)-3-[6-[(3S)-3-[[(3S)-3-methylmorpholin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 117874191
N-(4-hydroxyphenyl)-N-(1-methylindol-5-yl)-3-[6-[(3S)-3-[[(3R)-3-methylmorpholin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 117874239

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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide (CID 158779905) 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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-2-methylbenzamide;2-methyl-N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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 IQYBXCYGWLFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N2O2.C26H21FN2O2.C26H25NO4.C25H22N2O3.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;28-21-11-9-17(10-12-21)15-22(27-25(30)19-5-2-1-3-6-19)23(29)16-20-8-4-7-18-13-14-26-24(18)20;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);1-14,22,26,28H,15-16H2,(H,27,30);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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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 2430.85 g/mol, XLogP of 25.43, 42 rotatable bonds, 8 hydrogen bond donors, and 20 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-(7-fluoroquinolin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-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 158779905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).