N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide

C16H13ClF3N3O — CID 11046479

IUPACN'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide
SMILESCC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O/c1-10(24)15(21-12-6-4-5-11(17)9-12)23-22-14-8-3-2-7-13(14)16(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyVTFYQYRUDITRJR-UHFFFAOYSA-N
MW355.75 g/mol
LogP4.59
Rot. Bonds4

About N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide

N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide (PubChem CID 11046479) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide
PubChem CID11046479
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC NameN'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide
SMILESCC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3O/c1-10(24)15(21-12-6-4-5-11(17)9-12)23-22-14-8-3-2-7-13(14)16(18,19)20/h2-9,22H,1H3,(H,21,23)
InChIKeyVTFYQYRUDITRJR-UHFFFAOYSA-N
XLogP4.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide (CID 11046479) is N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide is CC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1C(F)(F)F.
What is the InChIKey of N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide?
The InChIKey is VTFYQYRUDITRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c1-10(24)15(21-12-6-4-5-11(17)9-12)23-22-14-8-3-2-7-13(14)16(18,19)20/h2-9,22H,1H3,(H,21,23).
What are the key properties of N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide?
N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide has a molecular weight of 355.75 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide is sourced from PubChem (CID 11046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).