4-ethylphosphanylbenzamide

C9H12NOP — CID 174787018

IUPAC4-ethylphosphanylbenzamide
SMILESCCPc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12NOP/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyJYYMSNUBAFRTHZ-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.11
Rot. Bonds3

About 4-ethylphosphanylbenzamide

4-ethylphosphanylbenzamide (PubChem CID 174787018) has the molecular formula C9H12NOP and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-ethylphosphanylbenzamide.

Molecular Properties

Compound Name4-ethylphosphanylbenzamide
PubChem CID174787018
Molecular FormulaC9H12NOP
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name4-ethylphosphanylbenzamide
SMILESCCPc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12NOP/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyJYYMSNUBAFRTHZ-UHFFFAOYSA-N
XLogP1.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethylphosphanylbenzamide?
The IUPAC name of 4-ethylphosphanylbenzamide (CID 174787018) is 4-ethylphosphanylbenzamide.
What is the SMILES notation for 4-ethylphosphanylbenzamide?
The canonical SMILES for 4-ethylphosphanylbenzamide is CCPc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-ethylphosphanylbenzamide?
The InChIKey is JYYMSNUBAFRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NOP/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,12H,2H2,1H3,(H2,10,11).
What are the key properties of 4-ethylphosphanylbenzamide?
4-ethylphosphanylbenzamide has a molecular weight of 181.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylphosphanylbenzamide is sourced from PubChem (CID 174787018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).