N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline

C19H16N4O3 — CID 163545972

IUPACN-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCOc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C19H16N4O3/c1-26-19-12-8-15(9-13-19)20-14-2-4-16(5-3-14)21-22-17-6-10-18(11-7-17)23(24)25/h2-13,20H,1H3/b22-21+
InChIKeyFFAYAQWYOWNIRD-QURGRASLSA-N
MW348.36 g/mol
LogP5.76
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline

N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 163545972) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
PubChem CID163545972
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCOc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C19H16N4O3/c1-26-19-12-8-15(9-13-19)20-14-2-4-16(5-3-14)21-22-17-6-10-18(11-7-17)23(24)25/h2-13,20H,1H3/b22-21+
InChIKeyFFAYAQWYOWNIRD-QURGRASLSA-N
XLogP5.76
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
6-(4-methoxyanilino)-4-(4-nitroanilino)-1H-1,3,5-triazin-2-one
CID 135489919

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline (CID 163545972) is N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline is COc1ccc(Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is FFAYAQWYOWNIRD-QURGRASLSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-19-12-8-15(9-13-19)20-14-2-4-16(5-3-14)21-22-17-6-10-18(11-7-17)23(24)25/h2-13,20H,1H3/b22-21+.
What are the key properties of N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline?
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 348.36 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 163545972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).