3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide

C18H19FN2O — CID 58608649

IUPAC3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide
SMILESCC(C)c1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-12(2)15-5-3-4-6-16(15)21-18(20)11-17(22)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H2,20,21)
InChIKeyFGBSAAUFJMZJTQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.21
Rot. Bonds5

About 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide

3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide (PubChem CID 58608649) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide
PubChem CID58608649
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide
SMILESCC(C)c1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-12(2)15-5-3-4-6-16(15)21-18(20)11-17(22)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H2,20,21)
InChIKeyFGBSAAUFJMZJTQ-UHFFFAOYSA-N
XLogP4.21
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide?
The IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide (CID 58608649) is 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide is CC(C)c1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide?
The InChIKey is FGBSAAUFJMZJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12(2)15-5-3-4-6-16(15)21-18(20)11-17(22)13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H2,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide?
3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide has a molecular weight of 298.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-oxo-N'-(2-propan-2-ylphenyl)propanimidamide is sourced from PubChem (CID 58608649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).