N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

C17H17FN2O — CID 58608612

IUPACN'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESCc1cccc(C)c1/N=C(/N)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-11-4-3-5-12(2)17(11)20-16(19)10-15(21)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H2,19,20)
InChIKeyXLFNUGQAYSTWQJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.70
Rot. Bonds4

About N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide

N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (PubChem CID 58608612) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
PubChem CID58608612
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
SMILESCc1cccc(C)c1/N=C(/N)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-11-4-3-5-12(2)17(11)20-16(19)10-15(21)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H2,19,20)
InChIKeyXLFNUGQAYSTWQJ-UHFFFAOYSA-N
XLogP3.70
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.70
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

N'-[3-(2-aminophenyl)-3-oxopropyl]benzenecarboximidamide
CID 164614407
N'-[3-(2-aminophenyl)-3-oxopropyl]-4-(trifluoromethyl)benzenecarboximidamide
CID 164626704
N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide
CID 164626768
C17H14F3NO
CID 11833678
2-Amino-4-quinolone
CID 129818295
(2-Amino-3-methylphenyl)-(4-fluorophenyl)methanone
CID 14835360
(2-Amino-3-methyl-phenyl)-(2-fluoro-phenyl)-methanone
CID 21701284
(2-Amino-3-propan-2-ylphenyl)-(2-fluorophenyl)methanone
CID 21701296
(2-Amino-3-ethylphenyl)-(2-fluorophenyl)methanone
CID 21701324
2-[4-fluoro-2-(hydroxyamino)-3H-quinolin-4-yl]-1-phenylethanone
CID 57070012
N'-(2,6-diethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608514
N'-(2-fluoro-5-methylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608531

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide (CID 58608612) is N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is Cc1cccc(C)c1/N=C(/N)CC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
The InChIKey is XLFNUGQAYSTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-4-3-5-12(2)17(11)20-16(19)10-15(21)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H2,19,20).
What are the key properties of N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide?
N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide has a molecular weight of 284.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).