1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea

C16H16FN3O2 — CID 54299354

IUPAC1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea
SMILESCCNC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O2/c1-2-18-16(21)20-19-11-12-3-7-14(8-4-12)22-15-9-5-13(17)6-10-15/h3-11H,2H2,1H3,(H2,18,20,21)
InChIKeySDCOGLMFFRQLQQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.27
Rot. Bonds5

About 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea

1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea (PubChem CID 54299354) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea
PubChem CID54299354
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea
SMILESCCNC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FN3O2/c1-2-18-16(21)20-19-11-12-3-7-14(8-4-12)22-15-9-5-13(17)6-10-15/h3-11H,2H2,1H3,(H2,18,20,21)
InChIKeySDCOGLMFFRQLQQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate
CID 110341082
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
CID 90486858
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
[[4-(3,5-difluorophenoxy)phenyl]methylideneamino]urea
CID 54511746
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea?
The IUPAC name of 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea (CID 54299354) is 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea is CCNC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea?
The InChIKey is SDCOGLMFFRQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-2-18-16(21)20-19-11-12-3-7-14(8-4-12)22-15-9-5-13(17)6-10-15/h3-11H,2H2,1H3,(H2,18,20,21).
What are the key properties of 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea?
1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea has a molecular weight of 301.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[4-(4-fluorophenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 54299354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).