N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

C149H125ClF6N10O16 — CID 158981808

IUPACN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1F
InChIInChI=1S/C26H24N2O2.C25H21ClN2O2.2C25H21FN2O2.C24H18F3NO4.C24H20FNO4/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;2*26-21-12-5-4-11-20(21)25(30)28-22(15-17-7-2-1-3-8-17)23(29)16-19-10-6-9-18-13-14-27-24(18)19;26-21-11-5-4-10-20(21)25(30)28-23(15-17-7-2-1-3-8-17)24(29)16-18-9-6-12-22-19(18)13-14-27-22;25-18-11-5-4-10-17(18)23(30)28-19(13-15-7-2-1-3-8-15)20(29)14-16-9-6-12-21-22(16)32-24(26,27)31-21;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22/h2-15,23,27H,16-17H2,1H3,(H,28,30);2*1-14,22,27H,15-16H2,(H,28,30);1-14,23,27H,15-16H2,(H,28,30);1-12,19H,13-14H2,(H,28,30);1-12,20H,13-15H2,(H,26,28)
InChIKeyJPCCPTQKKONDSP-UHFFFAOYSA-N
MW2461.13 g/mol
LogP26.53
Rot. Bonds42

About N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 158981808) has the molecular formula C149H125ClF6N10O16 and a molecular weight of 2461.13 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
PubChem CID158981808
Molecular FormulaC149H125ClF6N10O16
Molecular Weight2461.13 g/mol
Exact Mass2458.89
IUPAC NameN-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1F
InChIInChI=1S/C26H24N2O2.C25H21ClN2O2.2C25H21FN2O2.C24H18F3NO4.C24H20FNO4/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;2*26-21-12-5-4-11-20(21)25(30)28-22(15-17-7-2-1-3-8-17)23(29)16-19-10-6-9-18-13-14-27-24(18)19;26-21-11-5-4-10-20(21)25(30)28-23(15-17-7-2-1-3-8-17)24(29)16-18-9-6-12-22-19(18)13-14-27-22;25-18-11-5-4-10-17(18)23(30)28-19(13-15-7-2-1-3-8-15)20(29)14-16-9-6-12-21-22(16)32-24(26,27)31-21;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22/h2-15,23,27H,16-17H2,1H3,(H,28,30);2*1-14,22,27H,15-16H2,(H,28,30);1-14,23,27H,15-16H2,(H,28,30);1-12,19H,13-14H2,(H,28,30);1-12,20H,13-15H2,(H,26,28)
InChIKeyJPCCPTQKKONDSP-UHFFFAOYSA-N
XLogP26.53
TPSA377.10 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002461.13
LogP ≤ 526.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide with MolForge

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Related Compounds

CID 157484540
CID 157484540
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
CID 158928204
1,3-benzodioxole-4-carbaldehyde;(E)-3-(1,3-benzodioxol-4-yl)prop-2-enal;2-chloro-4-methylbenzaldehyde;(E)-3-(2-chloro-4-methylphenyl)prop-2-enal;1H-indole-4-carbaldehyde;(E)-3-(1H-indol-4-yl)prop-2-enal;methyl 2-formylbenzoate;methyl 2-[(E)-3-oxoprop-1-enyl]benzoate;2-(trifluoromethyl)benzaldehyde;(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enal
CID 160447338
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 160677728
2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
CID 160844012
1,3-benzodioxole-4-carbaldehyde;(E)-3-(1,3-benzodioxol-4-yl)prop-2-enal;2-chloro-4-(trifluoromethyl)benzaldehyde;(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enal;1H-indole-4-carbaldehyde;(E)-3-(1H-indol-4-yl)prop-2-enal;methyl 2-formylbenzoate;methyl 2-[(E)-3-oxoprop-1-enyl]benzoate;2-(trifluoromethyl)benzaldehyde;(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enal
CID 161538845
2-chloro-N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[5-fluoro-2-(fluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;2-fluoro-N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 157070710
N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxy-5-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157220499
N-[4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(5-fluoro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-1H-indole-4-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 157633236
N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(5-chloro-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;2-fluoro-N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-1H-indole-4-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 157760430
N-[(1S)-1-(1,3-benzodioxol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1R)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157971422
6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide
CID 158483357

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (CID 158981808) is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OC(F)(F)O2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1F.
What is the InChIKey of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The InChIKey is JPCCPTQKKONDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C25H21ClN2O2.2C25H21FN2O2.C24H18F3NO4.C24H20FNO4/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;2*26-21-12-5-4-11-20(21)25(30)28-22(15-17-7-2-1-3-8-17)23(29)16-19-10-6-9-18-13-14-27-24(18)19;26-21-11-5-4-10-20(21)25(30)28-23(15-17-7-2-1-3-8-17)24(29)16-18-9-6-12-22-19(18)13-14-27-22;25-18-11-5-4-10-17(18)23(30)28-19(13-15-7-2-1-3-8-15)20(29)14-16-9-6-12-21-22(16)32-24(26,27)31-21;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22/h2-15,23,27H,16-17H2,1H3,(H,28,30);2*1-14,22,27H,15-16H2,(H,28,30);1-14,23,27H,15-16H2,(H,28,30);1-12,19H,13-14H2,(H,28,30);1-12,20H,13-15H2,(H,26,28).
What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide has a molecular weight of 2461.13 g/mol, XLogP of 26.53, 42 rotatable bonds, 10 hydrogen bond donors, and 16 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]-2-fluorobenzamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,2-difluoro-1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 158981808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).