tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

C83H91Br5F3N13O12 — CID 158851409

IUPACtert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)C(F)(F)F)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)Cc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1cccnc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H25Br2N3O3.C22H24BrN3O3.C21H23BrN4O3.C17H19BrF3N3O3/c1-23(2,3)31-22(30)27-13-20(18-12-26-19-9-8-16(25)11-17(18)19)28-21(29)10-14-4-6-15(24)7-5-14;1-22(2,3)29-21(28)25-13-19(26-20(27)14-7-5-4-6-8-14)17-12-24-18-10-9-15(23)11-16(17)18;1-21(2,3)29-20(28)25-12-18(26-19(27)13-5-4-8-23-10-13)16-11-24-17-7-6-14(22)9-15(16)17;1-16(2,3)27-15(26)23-8-13(24-14(25)17(19,20)21)11-7-22-12-5-4-9(18)6-10(11)12/h4-9,11-12,20,26H,10,13H2,1-3H3,(H,27,30)(H,28,29);4-12,19,24H,13H2,1-3H3,(H,25,28)(H,26,27);4-11,18,24H,12H2,1-3H3,(H,25,28)(H,26,27);4-7,13,22H,8H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyIZMNMCLPHIBTGQ-UHFFFAOYSA-N
MW1919.23 g/mol
LogP19.04
Rot. Bonds20

About tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (PubChem CID 158851409) has the molecular formula C83H91Br5F3N13O12 and a molecular weight of 1919.23 g/mol. Its IUPAC name is tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
PubChem CID158851409
Molecular FormulaC83H91Br5F3N13O12
Molecular Weight1919.23 g/mol
Exact Mass1913.28
IUPAC Nametert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)C(F)(F)F)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)Cc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1cccnc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H25Br2N3O3.C22H24BrN3O3.C21H23BrN4O3.C17H19BrF3N3O3/c1-23(2,3)31-22(30)27-13-20(18-12-26-19-9-8-16(25)11-17(18)19)28-21(29)10-14-4-6-15(24)7-5-14;1-22(2,3)29-21(28)25-13-19(26-20(27)14-7-5-4-6-8-14)17-12-24-18-10-9-15(23)11-16(17)18;1-21(2,3)29-20(28)25-12-18(26-19(27)13-5-4-8-23-10-13)16-11-24-17-7-6-14(22)9-15(16)17;1-16(2,3)27-15(26)23-8-13(24-14(25)17(19,20)21)11-7-22-12-5-4-9(18)6-10(11)12/h4-9,11-12,20,26H,10,13H2,1-3H3,(H,27,30)(H,28,29);4-12,19,24H,13H2,1-3H3,(H,25,28)(H,26,27);4-11,18,24H,12H2,1-3H3,(H,25,28)(H,26,27);4-7,13,22H,8H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyIZMNMCLPHIBTGQ-UHFFFAOYSA-N
XLogP19.04
TPSA345.77 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.23
LogP ≤ 519.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231499
trifluoromethyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate
CID 171343631
4-(5-bromo-1H-indol-3-yl)-1-(4-bromophenyl)hexan-2-one;3-(5-bromo-1H-indol-3-yl)-1-phenylpentan-1-one;3-(5-bromo-1H-indol-3-yl)-1-pyridin-3-ylpentan-1-one;4-(5-bromo-1H-indol-3-yl)-1,1,1-trifluorohexan-2-one
CID 160264377
tert-butyl N-[(3S)-5-bromo-3-(5-bromo-1-methylindol-3-yl)-1-methyl-2-oxoindol-3-yl]carbamate
CID 139182666
5-bromo-1H-indole-7-carboxamide;tert-butyl 7-[bis[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-5-bromoindole-1-carboxylate
CID 69576386
tert-butyl 3-(5-bromo-1H-indol-3-yl)-4-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 71231094
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate
CID 71231099
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
CID 71231501
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231505
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate
CID 71231506
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231508
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate
CID 71231510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (CID 158851409) is tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)C(F)(F)F)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)Cc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1cccnc1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The InChIKey is IZMNMCLPHIBTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Br2N3O3.C22H24BrN3O3.C21H23BrN4O3.C17H19BrF3N3O3/c1-23(2,3)31-22(30)27-13-20(18-12-26-19-9-8-16(25)11-17(18)19)28-21(29)10-14-4-6-15(24)7-5-14;1-22(2,3)29-21(28)25-13-19(26-20(27)14-7-5-4-6-8-14)17-12-24-18-10-9-15(23)11-16(17)18;1-21(2,3)29-20(28)25-12-18(26-19(27)13-5-4-8-23-10-13)16-11-24-17-7-6-14(22)9-15(16)17;1-16(2,3)27-15(26)23-8-13(24-14(25)17(19,20)21)11-7-22-12-5-4-9(18)6-10(11)12/h4-9,11-12,20,26H,10,13H2,1-3H3,(H,27,30)(H,28,29);4-12,19,24H,13H2,1-3H3,(H,25,28)(H,26,27);4-11,18,24H,12H2,1-3H3,(H,25,28)(H,26,27);4-7,13,22H,8H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate has a molecular weight of 1919.23 g/mol, XLogP of 19.04, 20 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 158851409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).