N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide

C23H23Br2N5O2 — CID 71223425

IUPACN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide
SMILESNCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H23Br2N5O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(H,27,32)(H,30,31)
InChIKeyRFBFJXBVKSLYHH-UHFFFAOYSA-N
MW561.28 g/mol
LogP4.50
Rot. Bonds8

About N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide

N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide (PubChem CID 71223425) has the molecular formula C23H23Br2N5O2 and a molecular weight of 561.28 g/mol. Its IUPAC name is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide
PubChem CID71223425
Molecular FormulaC23H23Br2N5O2
Molecular Weight561.28 g/mol
Exact Mass559.02
IUPAC NameN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide
SMILESNCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H23Br2N5O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(H,27,32)(H,30,31)
InChIKeyRFBFJXBVKSLYHH-UHFFFAOYSA-N
XLogP4.50
TPSA115.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.28
LogP ≤ 54.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
N-[3-[4-(3-aminopropoxy)butoxy]propyl]-2-(5-bromo-1H-indol-3-yl)acetamide
CID 20642760
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43340401
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546
[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl] carbamate
CID 71223615
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide (CID 71223425) is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide is NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide?
The InChIKey is RFBFJXBVKSLYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Br2N5O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(H,27,32)(H,30,31).
What are the key properties of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide?
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide has a molecular weight of 561.28 g/mol, XLogP of 4.50, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide is sourced from PubChem (CID 71223425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).