2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

C16H17ClN4O4 — CID 20663

IUPAC2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2Cl)cc1
InChIInChI=1S/C16H17ClN4O4/c17-15-11-14(20(7-9-22)8-10-23)5-6-16(15)19-18-12-1-3-13(4-2-12)21(24)25/h1-6,11,22-23H,7-10H2/b19-18+
InChIKeyZVROYWXEJXXQGA-VHEBQXMUSA-N
MW364.79 g/mol
LogP3.45
Rot. Bonds8

About 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (PubChem CID 20663) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
PubChem CID20663
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2Cl)cc1
InChIInChI=1S/C16H17ClN4O4/c17-15-11-14(20(7-9-22)8-10-23)5-6-16(15)19-18-12-1-3-13(4-2-12)21(24)25/h1-6,11,22-23H,7-10H2/b19-18+
InChIKeyZVROYWXEJXXQGA-VHEBQXMUSA-N
XLogP3.45
TPSA111.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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
Basic Red 18 ion
CID 26457
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
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CID 162026
Ethanol, 2,2'-((4-(2-(4-nitrophenyl)diazenyl)phenyl)imino)bis-
CID 17651
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
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
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-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol (CID 20663) is 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2Cl)cc1.
What is the InChIKey of 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
The InChIKey is ZVROYWXEJXXQGA-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c17-15-11-14(20(7-9-22)8-10-23)5-6-16(15)19-18-12-1-3-13(4-2-12)21(24)25/h1-6,11,22-23H,7-10H2/b19-18+.
What are the key properties of 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol?
2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol has a molecular weight of 364.79 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol is sourced from PubChem (CID 20663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).