4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline

C16H16Cl2N4O2 — CID 154532686

IUPAC4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline
SMILESCCN(C)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2N4O2/c1-4-21(3)11-5-6-15(10(2)7-11)19-20-16-13(17)8-12(22(23)24)9-14(16)18/h5-9H,4H2,1-3H3/b20-19+
InChIKeyUCNRFAQJCBIVLB-FMQUCBEESA-N
MW367.24 g/mol
LogP6.08
Rot. Bonds5

About 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline

4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline (PubChem CID 154532686) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline
PubChem CID154532686
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline
SMILESCCN(C)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)c1
InChIInChI=1S/C16H16Cl2N4O2/c1-4-21(3)11-5-6-15(10(2)7-11)19-20-16-13(17)8-12(22(23)24)9-14(16)18/h5-9H,4H2,1-3H3/b20-19+
InChIKeyUCNRFAQJCBIVLB-FMQUCBEESA-N
XLogP6.08
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline?
The IUPAC name of 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline (CID 154532686) is 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline.
What is the SMILES notation for 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline?
The canonical SMILES for 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline is CCN(C)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)c1.
What is the InChIKey of 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline?
The InChIKey is UCNRFAQJCBIVLB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-4-21(3)11-5-6-15(10(2)7-11)19-20-16-13(17)8-12(22(23)24)9-14(16)18/h5-9H,4H2,1-3H3/b20-19+.
What are the key properties of 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline?
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline has a molecular weight of 367.24 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline is sourced from PubChem (CID 154532686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).