lithium N,N-diethylbenzamide

C11H14LiNO — CID 12872035

IUPAClithium N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1
InChIKeyFDKWEJCHGFQQDB-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.03
Rot. Bonds3

About lithium N,N-diethylbenzamide

lithium N,N-diethylbenzamide (PubChem CID 12872035) has the molecular formula C11H14LiNO and a molecular weight of 183.18 g/mol. Its IUPAC name is lithium N,N-diethylbenzamide.

Molecular Properties

Compound Namelithium N,N-diethylbenzamide
PubChem CID12872035
Molecular FormulaC11H14LiNO
Molecular Weight183.18 g/mol
Exact Mass183.12
IUPAC Namelithium N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1[c-]cccc1.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1
InChIKeyFDKWEJCHGFQQDB-UHFFFAOYSA-N
XLogP-1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-diethylbenzamide?
The IUPAC name of lithium N,N-diethylbenzamide (CID 12872035) is lithium N,N-diethylbenzamide.
What is the SMILES notation for lithium N,N-diethylbenzamide?
The canonical SMILES for lithium N,N-diethylbenzamide is CCN(CC)C(=O)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium N,N-diethylbenzamide?
The InChIKey is FDKWEJCHGFQQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO.Li/c1-3-12(4-2)11(13)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-diethylbenzamide?
lithium N,N-diethylbenzamide has a molecular weight of 183.18 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-diethylbenzamide is sourced from PubChem (CID 12872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).