N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide

C16H11N7O3 — CID 71385265

IUPACN-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1/N=N/c1c(C#N)cc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C16H11N7O3/c1-9(24)20-15-6-12(19)2-3-14(15)21-22-16-10(7-17)4-13(23(25)26)5-11(16)8-18/h2-6H,19H2,1H3,(H,20,24)/b22-21+
InChIKeyJCICWLMXCXDINO-QURGRASLSA-N
MW349.31 g/mol
LogP3.29
Rot. Bonds4

About N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide

N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide (PubChem CID 71385265) has the molecular formula C16H11N7O3 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
PubChem CID71385265
Molecular FormulaC16H11N7O3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC NameN-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(N)ccc1/N=N/c1c(C#N)cc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C16H11N7O3/c1-9(24)20-15-6-12(19)2-3-14(15)21-22-16-10(7-17)4-13(23(25)26)5-11(16)8-18/h2-6H,19H2,1H3,(H,20,24)/b22-21+
InChIKeyJCICWLMXCXDINO-QURGRASLSA-N
XLogP3.29
TPSA170.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[bis(prop-2-enyl)amino]-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide
CID 14512284
methyl 2-[3-acetamido-4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-N-ethylanilino]acetate
CID 129215642
N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(cyclohexylamino)phenyl]acetamide
CID 88777406
N-[5-[bis(prop-2-enyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)diazenyl]phenyl]acetamide
CID 101054953
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(dipentylamino)phenyl]acetamide
CID 88695791
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]phenyl]acetamide
CID 59434930
methyl N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]carbamate
CID 21413081
methyl 2-[5-acetamido-4-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-2-methoxy-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 170842542
2-[(4-amino-3-methylphenyl)diazenyl]-3-methyl-5-nitrobenzonitrile
CID 143045509
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]phenyl]acetamide
CID 59434988
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide;N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[ethyl(methyl)amino]-4-methoxyphenyl]acetamide;N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide;N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide;2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
CID 160939802
2-methylprop-2-enyl 3-[3-acetamido-N-benzyl-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate
CID 164991005

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide (CID 71385265) is N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide is CC(=O)Nc1cc(N)ccc1/N=N/c1c(C#N)cc([N+](=O)[O-])cc1C#N.
What is the InChIKey of N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide?
The InChIKey is JCICWLMXCXDINO-QURGRASLSA-N. The full InChI is InChI=1S/C16H11N7O3/c1-9(24)20-15-6-12(19)2-3-14(15)21-22-16-10(7-17)4-13(23(25)26)5-11(16)8-18/h2-6H,19H2,1H3,(H,20,24)/b22-21+.
What are the key properties of N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide?
N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2,6-dicyano-4-nitrophenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 71385265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).