lithium N-phenylacetamide

C8H8LiNO — CID 139213726

IUPAClithium N-phenylacetamide
SMILESCC(=O)Nc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H8NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-5H,1H3,(H,9,10);/q-1;+1
InChIKeyDDVZPOSKPINCMT-UHFFFAOYSA-N
MW141.10 g/mol
LogP-1.55
Rot. Bonds1

About lithium N-phenylacetamide

lithium N-phenylacetamide (PubChem CID 139213726) has the molecular formula C8H8LiNO and a molecular weight of 141.10 g/mol. Its IUPAC name is lithium N-phenylacetamide.

Molecular Properties

Compound Namelithium N-phenylacetamide
PubChem CID139213726
Molecular FormulaC8H8LiNO
Molecular Weight141.10 g/mol
Exact Mass141.08
IUPAC Namelithium N-phenylacetamide
SMILESCC(=O)Nc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H8NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-5H,1H3,(H,9,10);/q-1;+1
InChIKeyDDVZPOSKPINCMT-UHFFFAOYSA-N
XLogP-1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-1.55
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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Related Compounds

6-Methylpyridin-2-ol
CID 76772
N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
CID 89418444
2,2,2-trifluoro-N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 90127126
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide
CID 123259858
N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
CID 123461324
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
2,2,2-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]acetamide
CID 144199503
ethane;2,2,2-trifluoro-N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 145030734

Frequently Asked Questions

What is the IUPAC name of lithium N-phenylacetamide?
The IUPAC name of lithium N-phenylacetamide (CID 139213726) is lithium N-phenylacetamide.
What is the SMILES notation for lithium N-phenylacetamide?
The canonical SMILES for lithium N-phenylacetamide is CC(=O)Nc1[c-]cccc1.[Li+].
What is the InChIKey of lithium N-phenylacetamide?
The InChIKey is DDVZPOSKPINCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.Li/c1-7(10)9-8-5-3-2-4-6-8;/h2-5H,1H3,(H,9,10);/q-1;+1.
What are the key properties of lithium N-phenylacetamide?
lithium N-phenylacetamide has a molecular weight of 141.10 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-phenylacetamide is sourced from PubChem (CID 139213726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).