tripotassium;N,N-diethylbenzamide;tritetrafluoroborate

C11H15B3F12K3NO — CID 121234148

IUPACtripotassium;N,N-diethylbenzamide;tritetrafluoroborate
SMILESCCN(CC)C(=O)c1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[K+].[K+].[K+]
InChIInChI=1S/C11H15NO.3BF4.3K/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;3*2-1(3,4)5;;;/h5-9H,3-4H2,1-2H3;;;;;;/q;3*-1;3*+1
InChIKeyRVODAOTVMHADPJ-UHFFFAOYSA-N
MW554.95 g/mol
LogP-2.92
Rot. Bonds3

About tripotassium;N,N-diethylbenzamide;tritetrafluoroborate

tripotassium;N,N-diethylbenzamide;tritetrafluoroborate (PubChem CID 121234148) has the molecular formula C11H15B3F12K3NO and a molecular weight of 554.95 g/mol. Its IUPAC name is tripotassium;N,N-diethylbenzamide;tritetrafluoroborate.

Molecular Properties

Compound Nametripotassium;N,N-diethylbenzamide;tritetrafluoroborate
PubChem CID121234148
Molecular FormulaC11H15B3F12K3NO
Molecular Weight554.95 g/mol
Exact Mass555.02
IUPAC Nametripotassium;N,N-diethylbenzamide;tritetrafluoroborate
SMILESCCN(CC)C(=O)c1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[K+].[K+].[K+]
InChIInChI=1S/C11H15NO.3BF4.3K/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;3*2-1(3,4)5;;;/h5-9H,3-4H2,1-2H3;;;;;;/q;3*-1;3*+1
InChIKeyRVODAOTVMHADPJ-UHFFFAOYSA-N
XLogP-2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.95
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174412487
CID 174412487
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
CID 142910544
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
ethane;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 143933020
N-[1-[benzoyl(ethyl)amino]propan-2-yl]benzamide
CID 165355885
N-ethyl-N-[2-(ethylamino)ethyl]benzamide
CID 12892915
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984

Frequently Asked Questions

What is the IUPAC name of tripotassium;N,N-diethylbenzamide;tritetrafluoroborate?
The IUPAC name of tripotassium;N,N-diethylbenzamide;tritetrafluoroborate (CID 121234148) is tripotassium;N,N-diethylbenzamide;tritetrafluoroborate.
What is the SMILES notation for tripotassium;N,N-diethylbenzamide;tritetrafluoroborate?
The canonical SMILES for tripotassium;N,N-diethylbenzamide;tritetrafluoroborate is CCN(CC)C(=O)c1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[K+].[K+].[K+].
What is the InChIKey of tripotassium;N,N-diethylbenzamide;tritetrafluoroborate?
The InChIKey is RVODAOTVMHADPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.3BF4.3K/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;3*2-1(3,4)5;;;/h5-9H,3-4H2,1-2H3;;;;;;/q;3*-1;3*+1.
What are the key properties of tripotassium;N,N-diethylbenzamide;tritetrafluoroborate?
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate has a molecular weight of 554.95 g/mol, XLogP of -2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;N,N-diethylbenzamide;tritetrafluoroborate is sourced from PubChem (CID 121234148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).