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

C15H10F4N2O — CID 58608758

IUPAC3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cc(F)cc1F
InChIInChI=1S/C15H10F4N2O/c16-9-3-1-8(2-4-9)13(22)7-14(20)21-15-11(18)5-10(17)6-12(15)19/h1-6H,7H2,(H2,20,21)
InChIKeyZHQILAGSXFNPAH-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.50
Rot. Bonds4

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

3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide (PubChem CID 58608758) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide
PubChem CID58608758
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cc(F)cc1F
InChIInChI=1S/C15H10F4N2O/c16-9-3-1-8(2-4-9)13(22)7-14(20)21-15-11(18)5-10(17)6-12(15)19/h1-6H,7H2,(H2,20,21)
InChIKeyZHQILAGSXFNPAH-UHFFFAOYSA-N
XLogP3.50
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.50
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'-(2,6-difluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608525
N'-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608744
methyl 3-[[1-amino-3-(4-fluorophenyl)-3-oxopropylidene]amino]-4-methoxybenzoate
CID 58608673
ethyl 2-[4-[[1-amino-3-(4-fluorophenyl)-3-oxopropylidene]amino]phenyl]acetate
CID 58608682
3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
CID 91455107
3-amino-3-(4-fluorophenyl)iminopropanoic acid;hydrochloride
CID 158919276
3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide
CID 166949255
4-fluorobenzohydrazide
CID 9972
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
4-fluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 15552603
3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
CID 58608644
1-(4-fluorophenyl)-2-nitrosoethanone
CID 57125570

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide?
The IUPAC name of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide (CID 58608758) is 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide is N/C(CC(=O)c1ccc(F)cc1)=N/c1c(F)cc(F)cc1F.
What is the InChIKey of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide?
The InChIKey is ZHQILAGSXFNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c16-9-3-1-8(2-4-9)13(22)7-14(20)21-15-11(18)5-10(17)6-12(15)19/h1-6H,7H2,(H2,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide?
3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide has a molecular weight of 310.25 g/mol, XLogP of 3.50, 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-trifluorophenyl)propanimidamide is sourced from PubChem (CID 58608758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).