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

C26H26Cl2N6O4 — CID 4631655

IUPACN,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
SMILESO=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H26Cl2N6O4/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+
InChIKeyITOOGCLDALQFFC-FMWAKIAMSA-N
MW557.44 g/mol
LogP8.41
Rot. Bonds11

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

N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide (PubChem CID 4631655) has the molecular formula C26H26Cl2N6O4 and a molecular weight of 557.44 g/mol. Its IUPAC name is N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
PubChem CID4631655
Molecular FormulaC26H26Cl2N6O4
Molecular Weight557.44 g/mol
Exact Mass556.14
IUPAC NameN,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
SMILESO=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H26Cl2N6O4/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+
InChIKeyITOOGCLDALQFFC-FMWAKIAMSA-N
XLogP8.41
TPSA155.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.44
LogP ≤ 58.41
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The IUPAC name of N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide (CID 4631655) is N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide.
What is the SMILES notation for N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The canonical SMILES for N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide is O=C(CCCCCCCCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
The InChIKey is ITOOGCLDALQFFC-FMWAKIAMSA-N. The full InChI is InChI=1S/C26H26Cl2N6O4/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-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide?
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide has a molecular weight of 557.44 g/mol, XLogP of 8.41, 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-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide is sourced from PubChem (CID 4631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).