3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide

C16H14F2N2O — CID 58608644

IUPAC3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
SMILESCc1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O/c1-10-4-2-3-5-14(10)20-16(19)9-15(21)12-7-6-11(17)8-13(12)18/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyYBABRQMDTKIEHB-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.53
Rot. Bonds4

About 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide

3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide (PubChem CID 58608644) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
PubChem CID58608644
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
SMILESCc1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O/c1-10-4-2-3-5-14(10)20-16(19)9-15(21)12-7-6-11(17)8-13(12)18/h2-8H,9H2,1H3,(H2,19,20)
InChIKeyYBABRQMDTKIEHB-UHFFFAOYSA-N
XLogP3.53
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.53
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-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide 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

3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
CID 91455107
ethyl 4-(2,4-difluorophenyl)-2,4-dioxobutanoate
CID 603034
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide (CID 58608644) is 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide is Cc1ccccc1/N=C(\N)CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide?
The InChIKey is YBABRQMDTKIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10-4-2-3-5-14(10)20-16(19)9-15(21)12-7-6-11(17)8-13(12)18/h2-8H,9H2,1H3,(H2,19,20).
What are the key properties of 3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide?
3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide has a molecular weight of 288.30 g/mol, XLogP of 3.53, 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)-N'-(2-methylphenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).