4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide

C16H16Cl6N6O4 — CID 71343257

IUPAC4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
SMILESCC(C#N)(CCC(=O)NC(=O)C(Cl)(Cl)Cl)/N=N/C(C)(C#N)CCC(=O)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C16H16Cl6N6O4/c1-13(7-23,5-3-9(29)25-11(31)15(17,18)19)27-28-14(2,8-24)6-4-10(30)26-12(32)16(20,21)22/h3-6H2,1-2H3,(H,25,29,31)(H,26,30,32)/b28-27+
InChIKeyYZAXCWPKOONQFX-BYYHNAKLSA-N
MW569.06 g/mol
LogP3.59
Rot. Bonds8

About 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide

4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide (PubChem CID 71343257) has the molecular formula C16H16Cl6N6O4 and a molecular weight of 569.06 g/mol. Its IUPAC name is 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide.

Molecular Properties

Compound Name4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
PubChem CID71343257
Molecular FormulaC16H16Cl6N6O4
Molecular Weight569.06 g/mol
Exact Mass565.94
IUPAC Name4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
SMILESCC(C#N)(CCC(=O)NC(=O)C(Cl)(Cl)Cl)/N=N/C(C)(C#N)CCC(=O)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C16H16Cl6N6O4/c1-13(7-23,5-3-9(29)25-11(31)15(17,18)19)27-28-14(2,8-24)6-4-10(30)26-12(32)16(20,21)22/h3-6H2,1-2H3,(H,25,29,31)(H,26,30,32)/b28-27+
InChIKeyYZAXCWPKOONQFX-BYYHNAKLSA-N
XLogP3.59
TPSA164.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.06
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid;dihydrochloride
CID 141256752
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
CID 167208165
S-(10-sulfanyldecyl) 4-cyano-4-[[2-cyano-5-oxo-5-(10-sulfanyldecylsulfanyl)pentan-2-yl]diazenyl]pentanethioate
CID 89251709
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
CID 157385511
2-[(2-cyano-4-hydroxybutan-2-yl)diazenyl]-4-hydroxy-2-methylbutanenitrile;2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile
CID 160702229
11-[dichloro(methyl)silyl]undecyl 4-cyano-4-[[2-cyano-5-[11-[dichloro(methyl)silyl]undecoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 101485397
11-[4-cyano-4-[[2-cyano-5-oxo-5-[11-(trimethylazaniumyl)undecoxy]pentan-2-yl]diazenyl]pentanoyl]oxyundecyl-trimethylazanium
CID 101449034
4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoic acid
CID 59010813
2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
CID 18913437
1-ethoxyethyl 4-cyano-4-[[2-cyano-5-[1-[4-[1-[4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethoxy]butoxy]ethoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 87157374
ethyl 3-oxo-3-[(2,2,2-trichloroacetyl)amino]propanoate
CID 12575227

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide?
The IUPAC name of 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide (CID 71343257) is 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide.
What is the SMILES notation for 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide?
The canonical SMILES for 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide is CC(C#N)(CCC(=O)NC(=O)C(Cl)(Cl)Cl)/N=N/C(C)(C#N)CCC(=O)NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide?
The InChIKey is YZAXCWPKOONQFX-BYYHNAKLSA-N. The full InChI is InChI=1S/C16H16Cl6N6O4/c1-13(7-23,5-3-9(29)25-11(31)15(17,18)19)27-28-14(2,8-24)6-4-10(30)26-12(32)16(20,21)22/h3-6H2,1-2H3,(H,25,29,31)(H,26,30,32)/b28-27+.
What are the key properties of 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide?
4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide has a molecular weight of 569.06 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide is sourced from PubChem (CID 71343257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).