2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide

C19H18F2N4O2 — CID 90486858

IUPAC2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O2/c1-2-17(18(26)24-22-11-13-3-7-15(20)8-4-13)19(27)25-23-12-14-5-9-16(21)10-6-14/h3-12,17H,2H2,1H3,(H,24,26)(H,25,27)/b22-11+,23-12+
InChIKeyHRTSWISKSPFLNV-LCHFAGMQSA-N
MW372.38 g/mol
LogP2.59
Rot. Bonds7

About 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide

2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide (PubChem CID 90486858) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound Name2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
PubChem CID90486858
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O2/c1-2-17(18(26)24-22-11-13-3-7-15(20)8-4-13)19(27)25-23-12-14-5-9-16(21)10-6-14/h3-12,17H,2H2,1H3,(H,24,26)(H,25,27)/b22-11+,23-12+
InChIKeyHRTSWISKSPFLNV-LCHFAGMQSA-N
XLogP2.59
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
CID 45356627
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N'-[(4-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 2251149
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
4-fluoro-N-[1-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4045759
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide?
The IUPAC name of 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide (CID 90486858) is 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide?
The canonical SMILES for 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide is CCC(C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide?
The InChIKey is HRTSWISKSPFLNV-LCHFAGMQSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-2-17(18(26)24-22-11-13-3-7-15(20)8-4-13)19(27)25-23-12-14-5-9-16(21)10-6-14/h3-12,17H,2H2,1H3,(H,24,26)(H,25,27)/b22-11+,23-12+.
What are the key properties of 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide?
2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide has a molecular weight of 372.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 90486858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).