N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide

C26H26Br2N6O4 — CID 4014458

IUPACN,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
SMILESO=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C26H26Br2N6O4/c27-15-9-11-19-17(13-15)23(25(37)29-19)33-31-21(35)7-5-3-1-2-4-6-8-22(36)32-34-24-18-14-16(28)10-12-20(18)30-26(24)38/h9-14,29-30,37-38H,1-8H2/b33-31+,34-32+
InChIKeyBXCXGPRXBJNULI-FMWAKIAMSA-N
MW646.34 g/mol
LogP8.63
Rot. Bonds11

About N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide

N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide (PubChem CID 4014458) has the molecular formula C26H26Br2N6O4 and a molecular weight of 646.34 g/mol. Its IUPAC name is N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
PubChem CID4014458
Molecular FormulaC26H26Br2N6O4
Molecular Weight646.34 g/mol
Exact Mass644.04
IUPAC NameN,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
SMILESO=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C26H26Br2N6O4/c27-15-9-11-19-17(13-15)23(25(37)29-19)33-31-21(35)7-5-3-1-2-4-6-8-22(36)32-34-24-18-14-16(28)10-12-20(18)30-26(24)38/h9-14,29-30,37-38H,1-8H2/b33-31+,34-32+
InChIKeyBXCXGPRXBJNULI-FMWAKIAMSA-N
XLogP8.63
TPSA155.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.34
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide
CID 135619155
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylacetamide
CID 137118543
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135771220
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]heptanamide
CID 4011928
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
CID 4286470

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The IUPAC name of N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide (CID 4014458) is N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide.
What is the SMILES notation for N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The canonical SMILES for N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide is O=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The InChIKey is BXCXGPRXBJNULI-FMWAKIAMSA-N. The full InChI is InChI=1S/C26H26Br2N6O4/c27-15-9-11-19-17(13-15)23(25(37)29-19)33-31-21(35)7-5-3-1-2-4-6-8-22(36)32-34-24-18-14-16(28)10-12-20(18)30-26(24)38/h9-14,29-30,37-38H,1-8H2/b33-31+,34-32+.
What are the key properties of N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide has a molecular weight of 646.34 g/mol, XLogP of 8.63, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide is sourced from PubChem (CID 4014458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).