lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide

C11H13ClLiNO — CID 134894963

IUPAClithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C11H13ClNO.Li/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9;/h4-6H,1-3H3,(H,13,14);/q-1;+1
InChIKeyMWBPKANKMGWVSQ-UHFFFAOYSA-N
MW217.62 g/mol
LogP0.13
Rot. Bonds1

About lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide

lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide (PubChem CID 134894963) has the molecular formula C11H13ClLiNO and a molecular weight of 217.62 g/mol. Its IUPAC name is lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Namelithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide
PubChem CID134894963
Molecular FormulaC11H13ClLiNO
Molecular Weight217.62 g/mol
Exact Mass217.08
IUPAC Namelithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C11H13ClNO.Li/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9;/h4-6H,1-3H3,(H,13,14);/q-1;+1
InChIKeyMWBPKANKMGWVSQ-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 50.13
H-Bond Donors ≤ 51
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-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide (CID 134894963) is lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1[c-]cc(Cl)cc1.[Li+].
What is the InChIKey of lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide?
The InChIKey is MWBPKANKMGWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClNO.Li/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9;/h4-6H,1-3H3,(H,13,14);/q-1;+1.
What are the key properties of lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide?
lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide has a molecular weight of 217.62 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 134894963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).