tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate

C48H48Br2Cl2N8O6 — CID 161114985

IUPACtert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24Br2N4O3.C24H24Cl2N4O3/c2*1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20/h2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyUKESDPQXNCCGEI-UHFFFAOYSA-N
MW1063.68 g/mol
LogP12.12
Rot. Bonds10

About tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate (PubChem CID 161114985) has the molecular formula C48H48Br2Cl2N8O6 and a molecular weight of 1063.68 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
PubChem CID161114985
Molecular FormulaC48H48Br2Cl2N8O6
Molecular Weight1063.68 g/mol
Exact Mass1060.14
IUPAC Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H24Br2N4O3.C24H24Cl2N4O3/c2*1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20/h2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyUKESDPQXNCCGEI-UHFFFAOYSA-N
XLogP12.12
TPSA198.02 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.68
LogP ≤ 512.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate with MolForge

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Related Compounds

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
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-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 71231513
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231515
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
CID 157076796
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane
CID 157145480
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
CID 157333815
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 157341680
5-bromo-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-3-carboxamide;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 157852735
N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 158226175
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-fluorobenzamide;N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-methylbenzamide;N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide;N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide
CID 158344626
tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 158591145

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate (CID 161114985) is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is UKESDPQXNCCGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N4O3.C24H24Cl2N4O3/c2*1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20/h2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 1063.68 g/mol, XLogP of 12.12, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 161114985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).