2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide

C16H12FN3O — CID 137279457

IUPAC2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide
SMILES[H]/N=C(Cc1ccc(F)cc1)/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)9-14(18)20-15-12-3-1-2-4-13(12)19-16(15)21/h1-8H,9H2,(H2,18,19,20,21)
InChIKeyGPRBUOCJDYQJKL-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide

2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide (PubChem CID 137279457) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide
PubChem CID137279457
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide
SMILES[H]/N=C(Cc1ccc(F)cc1)/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)9-14(18)20-15-12-3-1-2-4-13(12)19-16(15)21/h1-8H,9H2,(H2,18,19,20,21)
InChIKeyGPRBUOCJDYQJKL-UHFFFAOYSA-N
XLogP2.79
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
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

(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
2-[(2-oxo-1H-indol-3-ylidene)amino]butanoic acid
CID 137279422
3-[2-cyanoethyl-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]amino]propanenitrile
CID 135747128
3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one
CID 5078446
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide (CID 137279457) is 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide is [H]/N=C(Cc1ccc(F)cc1)/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide?
The InChIKey is GPRBUOCJDYQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)9-14(18)20-15-12-3-1-2-4-13(12)19-16(15)21/h1-8H,9H2,(H2,18,19,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide?
2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide has a molecular weight of 281.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-oxo-1H-indol-3-ylidene)ethanimidamide is sourced from PubChem (CID 137279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).