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

C17H19ClN4O4 — CID 19590

IUPAC2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+
InChIKeyNBEXAEYARUBYDV-FMQUCBEESA-N
MW378.82 g/mol
LogP3.76
Rot. Bonds8

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

2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 19590) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID19590
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+
InChIKeyNBEXAEYARUBYDV-FMQUCBEESA-N
XLogP3.76
TPSA111.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 Brown 1
CID 31878
Ethanol, 2-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)methylamino)-
CID 22598
Disperse Red 17
CID 4585870
Disperse Red 13
CID 18516
Disperse dye (C.I. 11230)
CID 22417
2,2'-((3-Chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethanol
CID 20663
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl](2-hydroxyethyl)amino]-
CID 23139
3-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)propiononitrile
CID 85500
Ethanol, 2,2'-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-
CID 113248
(2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium acetate
CID 163339
Ethanol, 2,2'-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]imino]bis-
CID 76404
Ethanol, 2-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CID 81175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 19590) is 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is NBEXAEYARUBYDV-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+.
What are the key properties of 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 378.82 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 19590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).