3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol

C17H19ClN4O3 — CID 122210485

IUPAC3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol
SMILESCCN(CCCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C17H19ClN4O3/c1-2-21(10-3-11-23)14-6-4-13(5-7-14)19-20-17-9-8-15(22(24)25)12-16(17)18/h4-9,12,23H,2-3,10-11H2,1H3/b20-19+
InChIKeyZAWNGELDBNSJJP-FMQUCBEESA-N
MW362.82 g/mol
LogP4.87
Rot. Bonds8

About 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol

3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol (PubChem CID 122210485) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol
PubChem CID122210485
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol
SMILESCCN(CCCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C17H19ClN4O3/c1-2-21(10-3-11-23)14-6-4-13(5-7-14)19-20-17-9-8-15(22(24)25)12-16(17)18/h4-9,12,23H,2-3,10-11H2,1H3/b20-19+
InChIKeyZAWNGELDBNSJJP-FMQUCBEESA-N
XLogP4.87
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.87
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

2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium acetate
CID 21149635
1-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]-6-(diethylamino)hexan-2-one
CID 58321209
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-methoxyethyl)aniline
CID 71320186
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-pyridin-1-ium-1-ylethyl)aniline
CID 56843392
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-[4-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethoxy]phenyl]acetate
CID 11767695
3-[4-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethoxy]phenyl]-2-methylpropanoic acid
CID 11016688
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-oxopropyl 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[3-oxo-3-(2-oxopropoxy)propyl]anilino]propanoate
CID 90138075
N'-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 3019926
6-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]hex-1-ene-3,4-dione
CID 89258111
2-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]ethanol
CID 141406177
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol?
The IUPAC name of 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol (CID 122210485) is 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol?
The canonical SMILES for 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol is CCN(CCCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol?
The InChIKey is ZAWNGELDBNSJJP-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-2-21(10-3-11-23)14-6-4-13(5-7-14)19-20-17-9-8-15(22(24)25)12-16(17)18/h4-9,12,23H,2-3,10-11H2,1H3/b20-19+.
What are the key properties of 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol?
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol has a molecular weight of 362.82 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol is sourced from PubChem (CID 122210485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).