6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide

C23H24BrClN4O — CID 129127234

IUPAC6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)NCCNC(=O)c1c(-c2cc3cc(Cl)ccc3[nH]2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C23H24BrClN4O/c1-23(2,3)27-9-8-26-22(30)20-16-6-4-14(24)12-18(16)29-21(20)19-11-13-10-15(25)5-7-17(13)28-19/h4-7,10-12,27-29H,8-9H2,1-3H3,(H,26,30)
InChIKeyPIJQQYSABRDHPH-UHFFFAOYSA-N
MW487.83 g/mol
LogP5.85
Rot. Bonds5

About 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide

6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide (PubChem CID 129127234) has the molecular formula C23H24BrClN4O and a molecular weight of 487.83 g/mol. Its IUPAC name is 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide
PubChem CID129127234
Molecular FormulaC23H24BrClN4O
Molecular Weight487.83 g/mol
Exact Mass486.08
IUPAC Name6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(C)NCCNC(=O)c1c(-c2cc3cc(Cl)ccc3[nH]2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C23H24BrClN4O/c1-23(2,3)27-9-8-26-22(30)20-16-6-4-14(24)12-18(16)29-21(20)19-11-13-10-15(25)5-7-17(13)28-19/h4-7,10-12,27-29H,8-9H2,1-3H3,(H,26,30)
InChIKeyPIJQQYSABRDHPH-UHFFFAOYSA-N
XLogP5.85
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-bromo-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carbonyl]amino]propyl acetate
CID 129127587
6-bromo-2-(5-chloro-1H-indol-2-yl)-N-(2,2-dimethoxyethyl)-1H-indole-3-carboxamide
CID 129127157
6-bromo-2-(5-chloro-1H-indol-2-yl)-3-methyl-1H-indole
CID 129127438
N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
CID 140937067
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
CID 129103872
2-(6-chloro-1H-indazol-3-yl)-N-methyl-1H-indole-5-carboxamide
CID 135754590

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide (CID 129127234) is 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide is CC(C)(C)NCCNC(=O)c1c(-c2cc3cc(Cl)ccc3[nH]2)[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is PIJQQYSABRDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN4O/c1-23(2,3)27-9-8-26-22(30)20-16-6-4-14(24)12-18(16)29-21(20)19-11-13-10-15(25)5-7-17(13)28-19/h4-7,10-12,27-29H,8-9H2,1-3H3,(H,26,30).
What are the key properties of 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide?
6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 487.83 g/mol, XLogP of 5.85, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(tert-butylamino)ethyl]-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 129127234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).