2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium

C19H25N4O3+ — CID 134935846

IUPAC2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25N4O3/c20-21-18-12-11-16(23(25)26)13-17(18)19(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15H,1-10H2/q+1
InChIKeySGMOKUIMYBYROS-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.19
Rot. Bonds4

About 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium

2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium (PubChem CID 134935846) has the molecular formula C19H25N4O3+ and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium.

Molecular Properties

Compound Name2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium
PubChem CID134935846
Molecular FormulaC19H25N4O3+
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium
SMILESN#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25N4O3/c20-21-18-12-11-16(23(25)26)13-17(18)19(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15H,1-10H2/q+1
InChIKeySGMOKUIMYBYROS-UHFFFAOYSA-N
XLogP5.19
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_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 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium?
The IUPAC name of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium (CID 134935846) is 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium.
What is the SMILES notation for 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium?
The canonical SMILES for 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium is N#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium?
The InChIKey is SGMOKUIMYBYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N4O3/c20-21-18-12-11-16(23(25)26)13-17(18)19(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15H,1-10H2/q+1.
What are the key properties of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium?
2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium has a molecular weight of 357.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium is sourced from PubChem (CID 134935846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).