2-(4-phenacylphenyl)guanidine

C15H15N3O — CID 16758228

IUPAC2-(4-phenacylphenyl)guanidine
SMILESNC(N)=Nc1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
InChIKeyMERNPSIIBFTCAI-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-phenacylphenyl)guanidine

2-(4-phenacylphenyl)guanidine (PubChem CID 16758228) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-phenacylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-phenacylphenyl)guanidine
PubChem CID16758228
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(4-phenacylphenyl)guanidine
SMILESNC(N)=Nc1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
InChIKeyMERNPSIIBFTCAI-UHFFFAOYSA-N
XLogP2.02
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenacylphenyl)guanidine?
The IUPAC name of 2-(4-phenacylphenyl)guanidine (CID 16758228) is 2-(4-phenacylphenyl)guanidine.
What is the SMILES notation for 2-(4-phenacylphenyl)guanidine?
The canonical SMILES for 2-(4-phenacylphenyl)guanidine is NC(N)=Nc1ccc(CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenacylphenyl)guanidine?
The InChIKey is MERNPSIIBFTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18).
What are the key properties of 2-(4-phenacylphenyl)guanidine?
2-(4-phenacylphenyl)guanidine has a molecular weight of 253.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenacylphenyl)guanidine is sourced from PubChem (CID 16758228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).