2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol

C16H17ClN4O3 — CID 18516

IUPAC2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18+
InChIKeyFEJPWLNPOFOBSP-VHEBQXMUSA-N
MW348.79 g/mol
LogP4.48
Rot. Bonds7

About 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol

2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol (PubChem CID 18516) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
PubChem CID18516
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18+
InChIKeyFEJPWLNPOFOBSP-VHEBQXMUSA-N
XLogP4.48
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', '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

Disperse red 1
CID 17886
Disperse Brown 1
CID 31878
Disperse Orange 37
CID 83322
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-
CID 78916
Ethanol, 2-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)methylamino)-
CID 22598
Basic Red 18 ion
CID 26457
Ethanol, 2,2'-((4-(2-(4-nitrophenyl)diazenyl)phenyl)imino)bis-
CID 17651
Propanenitrile, 3,3'-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-
CID 77677
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-
CID 80118
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CID 162026
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
beta-Alanine, N-[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, methyl ester
CID 81174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol (CID 18516) is 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol is CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol?
The InChIKey is FEJPWLNPOFOBSP-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18+.
What are the key properties of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol?
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol has a molecular weight of 348.79 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol is sourced from PubChem (CID 18516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).