N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen

C83H82Br2N10O11 — CID 159498501

IUPACN-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(OCCCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccccc1N1CCN(C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)CC1.O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12.O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H20N2O2.C21H20BrN3O4.C21H20BrN3O3.C17H14N2O2.4H2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19;1-13(26)25-15-4-6-16(7-5-15)29-10-2-9-23-21(28)20(27)18-12-24-19-8-3-14(22)11-17(18)19;1-28-19-5-3-2-4-18(19)24-8-10-25(11-9-24)21(27)20(26)16-13-23-17-7-6-14(22)12-15(16)17;20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12;;;;/h1-15,25H,16-17H2;3-8,11-12,24H,2,9-10H2,1H3,(H,23,28)(H,25,26);2-7,12-13,23H,8-11H2,1H3;1-9,11,18H,10H2,(H,19,21);4*1H
InChIKeyLZBVUZTVPORNFY-UHFFFAOYSA-N
MW1555.44 g/mol
LogP15.36
Rot. Bonds22

About N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen

N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen (PubChem CID 159498501) has the molecular formula C83H82Br2N10O11 and a molecular weight of 1555.44 g/mol. Its IUPAC name is N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen
PubChem CID159498501
Molecular FormulaC83H82Br2N10O11
Molecular Weight1555.44 g/mol
Exact Mass1552.45
IUPAC NameN-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(OCCCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccccc1N1CCN(C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)CC1.O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12.O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H20N2O2.C21H20BrN3O4.C21H20BrN3O3.C17H14N2O2.4H2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19;1-13(26)25-15-4-6-16(7-5-15)29-10-2-9-23-21(28)20(27)18-12-24-19-8-3-14(22)11-17(18)19;1-28-19-5-3-2-4-18(19)24-8-10-25(11-9-24)21(27)20(26)16-13-23-17-7-6-14(22)12-15(16)17;20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12;;;;/h1-15,25H,16-17H2;3-8,11-12,24H,2,9-10H2,1H3,(H,23,28)(H,25,26);2-7,12-13,23H,8-11H2,1H3;1-9,11,18H,10H2,(H,19,21);4*1H
InChIKeyLZBVUZTVPORNFY-UHFFFAOYSA-N
XLogP15.36
TPSA281.06 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001555.44
LogP ≤ 515.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen with MolForge

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Related Compounds

1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 2775967
N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide
CID 2775971
(4R)-3,4-bis(1H-indol-3-ylmethyl)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-4-ium-2-one
CID 88209092
(4R)-3,4-bis(1H-indol-3-ylmethyl)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-[2-(2-phenylmethoxyphenyl)ethyl]piperazin-4-ium-2-one
CID 88327387
5-bromo-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1H-indole-3-carboxamide
CID 140192263
[(3S,6S,9S,12R,15S,18S,20R)-3-[(3-bromophenyl)methyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-9-(piperidin-4-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
CID 153560740
6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-methylidene-2,3,4,9-tetrahydrocarbazole;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-(2H-pyrrol-5-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-[[1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrrol-3-yl]methyl]aniline
CID 157685897
N-benzyl-2-(1H-indol-3-yl)-N-methyl-2-oxoacetamide;2-(5-bromo-1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide;2-(5-bromo-1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;N,N-dibenzyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 158111577
2-(5-bromo-2-methylindol-1-yl)-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide;5-bromo-N-[2-(2-methylphenoxy)ethyl]-1-[2-oxo-3-(1-prop-2-enoylazetidin-3-yl)propyl]indole-3-carboxamide
CID 158413541
6-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-2,9-dimethyl-3,4-dihydro-2H-carbazol-1-one;6-bromo-1-(4-methylphenoxy)-2,3,4,9-tetrahydro-1H-carbazole;N-[4-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]phenyl]acetamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-6-methylpyridine-3-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-3-carboxamide;6-methoxy-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 158866765
N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzhydryl-2-(1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;2-(1H-indol-3-yl)-N-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethyl]-2-oxoacetamide;2-(1H-indol-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)-2-oxoacetamide;2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide;molecular hydrogen
CID 159085874
2-[2-(1-benzofuran-2-yl)ethylamino]-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide;2-(1,3-benzoxazol-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 159693433

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen?
The IUPAC name of N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen (CID 159498501) is N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen.
What is the SMILES notation for N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen?
The canonical SMILES for N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen is CC(=O)Nc1ccc(OCCCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccccc1N1CCN(C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)CC1.O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12.O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen?
The InChIKey is LZBVUZTVPORNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2.C21H20BrN3O4.C21H20BrN3O3.C17H14N2O2.4H2/c27-23(21-15-25-22-14-8-7-13-20(21)22)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19;1-13(26)25-15-4-6-16(7-5-15)29-10-2-9-23-21(28)20(27)18-12-24-19-8-3-14(22)11-17(18)19;1-28-19-5-3-2-4-18(19)24-8-10-25(11-9-24)21(27)20(26)16-13-23-17-7-6-14(22)12-15(16)17;20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12;;;;/h1-15,25H,16-17H2;3-8,11-12,24H,2,9-10H2,1H3,(H,23,28)(H,25,26);2-7,12-13,23H,8-11H2,1H3;1-9,11,18H,10H2,(H,19,21);4*1H.
What are the key properties of N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen?
N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen has a molecular weight of 1555.44 g/mol, XLogP of 15.36, 22 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidophenoxy)propyl]-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide;N-benzyl-2-(1H-indol-3-yl)-2-oxoacetamide;1-(5-bromo-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione;N,N-dibenzyl-2-(1H-indol-3-yl)-2-oxoacetamide;molecular hydrogen is sourced from PubChem (CID 159498501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).