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'}

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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).