(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide

C11H14FN3O2 — CID 55135186

IUPAC(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
SMILESCCN(C(=O)C/C(N)=N/O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-2-15(11(16)7-10(13)14-17)9-5-3-8(12)4-6-9/h3-6,17H,2,7H2,1H3,(H2,13,14)
InChIKeyZBEABBPUIMBUMI-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.32
Rot. Bonds4

About (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide (PubChem CID 55135186) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
PubChem CID55135186
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
SMILESCCN(C(=O)C/C(N)=N/O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-2-15(11(16)7-10(13)14-17)9-5-3-8(12)4-6-9/h3-6,17H,2,7H2,1H3,(H2,13,14)
InChIKeyZBEABBPUIMBUMI-UHFFFAOYSA-N
XLogP1.32
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.32
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
CID 76930705
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
CID 116510824
1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
CID 62362369
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide (CID 55135186) is (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide is CCN(C(=O)C/C(N)=N/O)c1ccc(F)cc1.
What is the InChIKey of (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide?
The InChIKey is ZBEABBPUIMBUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-2-15(11(16)7-10(13)14-17)9-5-3-8(12)4-6-9/h3-6,17H,2,7H2,1H3,(H2,13,14).
What are the key properties of (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide has a molecular weight of 239.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 55135186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).