3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide

C16H15FN2O — CID 58608754

IUPAC3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide
SMILESCc1cccc(/N=C(\N)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O/c1-11-3-2-4-14(9-11)19-16(18)10-15(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyJDEWKGDGALLLJT-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide

3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide (PubChem CID 58608754) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide
PubChem CID58608754
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide
SMILESCc1cccc(/N=C(\N)CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O/c1-11-3-2-4-14(9-11)19-16(18)10-15(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyJDEWKGDGALLLJT-UHFFFAOYSA-N
XLogP3.40
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.40
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-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide?
The IUPAC name of 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide (CID 58608754) is 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide is Cc1cccc(/N=C(\N)CC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide?
The InChIKey is JDEWKGDGALLLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-3-2-4-14(9-11)19-16(18)10-15(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide?
3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide has a molecular weight of 270.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-(3-methylphenyl)-3-oxopropanimidamide is sourced from PubChem (CID 58608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).