2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde

C16H16N4O3 — CID 10913969

IUPAC2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
SMILESCCN(CC=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,12H,2,11H2,1H3/b18-17+
InChIKeyLMZOUQFYIKBVGG-ISLYRVAYSA-N
MW312.33 g/mol
LogP4.04
Rot. Bonds7

About 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde

2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde (PubChem CID 10913969) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde.

Molecular Properties

Compound Name2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
PubChem CID10913969
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde
SMILESCCN(CC=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,12H,2,11H2,1H3/b18-17+
InChIKeyLMZOUQFYIKBVGG-ISLYRVAYSA-N
XLogP4.04
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trifluoroethyl)aniline
CID 71367494
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2-prop-2-enoxyethyl)aniline
CID 102365331
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
methyl 2-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethylamino]acetate
CID 11069071
(N-ethyl-4-nitroanilino)methanol
CID 19938996
2-[4-[(4-nitrophenyl)diazenyl]-N-prop-2-enylanilino]ethanol
CID 19702708
5-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]-2-methylidenepentanoic acid
CID 18927821
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol;2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 158565238
N-[2-[N-(2-acetamidoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl]acetamide
CID 101391928
N,N-diethyl-4-[(4-nitrophenyl)diazenyl]-2-(trifluoromethyl)aniline
CID 101079120
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde?
The IUPAC name of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde (CID 10913969) is 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde.
What is the SMILES notation for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde?
The canonical SMILES for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde is CCN(CC=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde?
The InChIKey is LMZOUQFYIKBVGG-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,12H,2,11H2,1H3/b18-17+.
What are the key properties of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde?
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde has a molecular weight of 312.33 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]acetaldehyde is sourced from PubChem (CID 10913969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).