2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate

C19H25BF4N4O3 — CID 134935845

IUPAC2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25N4O3.BF4/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;2-1(3,4)5/h11-15H,1-10H2;/q+1;-1
InChIKeyUAMAIFOSPJORPX-UHFFFAOYSA-N
MW444.24 g/mol
LogP6.49
Rot. Bonds4

About 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate

2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate (PubChem CID 134935845) has the molecular formula C19H25BF4N4O3 and a molecular weight of 444.24 g/mol. Its IUPAC name is 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate
PubChem CID134935845
Molecular FormulaC19H25BF4N4O3
Molecular Weight444.24 g/mol
Exact Mass444.20
IUPAC Name2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H25N4O3.BF4/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;2-1(3,4)5/h11-15H,1-10H2;/q+1;-1
InChIKeyUAMAIFOSPJORPX-UHFFFAOYSA-N
XLogP6.49
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.24
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 tetrafluoroborate?
The IUPAC name of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate (CID 134935845) is 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc([N+](=O)[O-])cc1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate?
The InChIKey is UAMAIFOSPJORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N4O3.BF4/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;2-1(3,4)5/h11-15H,1-10H2;/q+1;-1.
What are the key properties of 2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate?
2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate has a molecular weight of 444.24 g/mol, XLogP of 6.49, 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 tetrafluoroborate is sourced from PubChem (CID 134935845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).