3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide

C15H12F2N2O — CID 91455107

IUPAC3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1F)=N\c1ccccc1
InChIInChI=1S/C15H12F2N2O/c16-10-6-7-12(13(17)8-10)14(20)9-15(18)19-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19)
InChIKeyMGGILNTYDIXRNA-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.23
Rot. Bonds4

About 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide

3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide (PubChem CID 91455107) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
PubChem CID91455107
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
SMILESN/C(CC(=O)c1ccc(F)cc1F)=N\c1ccccc1
InChIInChI=1S/C15H12F2N2O/c16-10-6-7-12(13(17)8-10)14(20)9-15(18)19-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19)
InChIKeyMGGILNTYDIXRNA-UHFFFAOYSA-N
XLogP3.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.23
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

3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
CID 58608644
3-amino-3-(4-fluorophenyl)iminopropanoic acid;hydrochloride
CID 158919276
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
3-(4-fluorophenyl)-3-oxo-N'-(2,4,6-trifluorophenyl)propanimidamide
CID 58608758
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2,4-difluorobenzamide;dihydrochloride
CID 22032026
ethyl 4-(2,4-difluorophenyl)-2,4-dioxobutanoate
CID 603034
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide?
The IUPAC name of 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide (CID 91455107) is 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide is N/C(CC(=O)c1ccc(F)cc1F)=N\c1ccccc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide?
The InChIKey is MGGILNTYDIXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-10-6-7-12(13(17)8-10)14(20)9-15(18)19-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19).
What are the key properties of 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide?
3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide has a molecular weight of 274.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide is sourced from PubChem (CID 91455107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).