3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide

C18H19FN2O — CID 58608717

IUPAC3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide
SMILESCc1cc(C)c(/N=C(/N)CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FN2O/c1-11-8-12(2)18(13(3)9-11)21-17(20)10-16(22)14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H2,20,21)
InChIKeyVJNWUMYUVWSOBF-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.01
Rot. Bonds4

About 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide

3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide (PubChem CID 58608717) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide
PubChem CID58608717
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide
SMILESCc1cc(C)c(/N=C(/N)CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FN2O/c1-11-8-12(2)18(13(3)9-11)21-17(20)10-16(22)14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H2,20,21)
InChIKeyVJNWUMYUVWSOBF-UHFFFAOYSA-N
XLogP4.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.01
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'}

Analyze 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(2-Oxo-2-phenylethyl)phenyl)guanidine
CID 16758228
N'-[3-(2-aminophenyl)-3-oxopropyl]benzenecarboximidamide
CID 164614407
C17H14F3NO
CID 11833678
(2-Amino-5-methylphenyl)-(2-fluorophenyl)methanone
CID 39101625
2-Amino-4-quinolone
CID 129818295
2-Amino-5-ethyl-2',4'-difluorobenzophenone
CID 10083997
Methanone, (2-amino-5-methylphenyl)(4-fluorophenyl)-
CID 10966280
2-Amino-3-(4-fluorobenzoyl)-5-methylphenylacetamide
CID 13394303
(2-Amino-3-methylphenyl)-(4-fluorophenyl)methanone
CID 14835360
2-[2-Amino-3-(4-fluorobenzoyl)-5-methylphenyl]acetonitrile
CID 19867773
(2-Amino-3-methyl-phenyl)-(2-fluoro-phenyl)-methanone
CID 21701284
(2-Amino-3-propan-2-ylphenyl)-(2-fluorophenyl)methanone
CID 21701296

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide?
The IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide (CID 58608717) is 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide is Cc1cc(C)c(/N=C(/N)CC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide?
The InChIKey is VJNWUMYUVWSOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-11-8-12(2)18(13(3)9-11)21-17(20)10-16(22)14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H2,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide?
3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trimethylphenyl)propanimidamide has a molecular weight of 298.36 g/mol, XLogP of 4.01, 4 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'-(2,4,6-trimethylphenyl)propanimidamide is sourced from PubChem (CID 58608717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).