3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate

C21H34BF4N3O — CID 23048357

IUPAC3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate
SMILESCCCCCCCCCCCCCCNC(=O)c1cccc([N+]#N)c1.F[B-](F)(F)F
InChIInChI=1S/C21H33N3O.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-21(25)19-15-14-16-20(18-19)24-22;2-1(3,4)5/h14-16,18H,2-13,17H2,1H3;/q;-1/p+1
InChIKeyQOVATWLDMKOQKZ-UHFFFAOYSA-O
MW431.33 g/mol
LogP7.90
Rot. Bonds14

About 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate

3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate (PubChem CID 23048357) has the molecular formula C21H34BF4N3O and a molecular weight of 431.33 g/mol. Its IUPAC name is 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate
PubChem CID23048357
Molecular FormulaC21H34BF4N3O
Molecular Weight431.33 g/mol
Exact Mass431.27
IUPAC Name3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate
SMILESCCCCCCCCCCCCCCNC(=O)c1cccc([N+]#N)c1.F[B-](F)(F)F
InChIInChI=1S/C21H33N3O.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-21(25)19-15-14-16-20(18-19)24-22;2-1(3,4)5/h14-16,18H,2-13,17H2,1H3;/q;-1/p+1
InChIKeyQOVATWLDMKOQKZ-UHFFFAOYSA-O
XLogP7.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-fluoro-N-octadecylbenzamide
CID 91711883
3-hydroxy-N-octylbenzamide
CID 115568584
3-bromo-N-dodecylbenzamide
CID 603918
3-methoxy-N-tridecylbenzamide
CID 139819898
3-carbamothioyl-N-octylbenzamide
CID 115568179
N-decyl-3-sulfanylbenzamide
CID 107032454
3,4-diamino-N-dodecylbenzamide
CID 22411166
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
3,5-diamino-N-hexadecylbenzamide
CID 54469516

Frequently Asked Questions

What is the IUPAC name of 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate?
The IUPAC name of 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate (CID 23048357) is 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate?
The canonical SMILES for 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate is CCCCCCCCCCCCCCNC(=O)c1cccc([N+]#N)c1.F[B-](F)(F)F.
What is the InChIKey of 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate?
The InChIKey is QOVATWLDMKOQKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H33N3O.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-21(25)19-15-14-16-20(18-19)24-22;2-1(3,4)5/h14-16,18H,2-13,17H2,1H3;/q;-1/p+1.
What are the key properties of 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate?
3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate has a molecular weight of 431.33 g/mol, XLogP of 7.90, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetradecylcarbamoyl)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 23048357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).