(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide

C11H11FN2O3 — CID 112674420

IUPAC(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
SMILESNC(=O)CONC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C11H11FN2O3/c12-9-4-2-1-3-8(9)5-6-11(16)14-17-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16)/b6-5+
InChIKeyJFLPJCLMSHTCKX-AATRIKPKSA-N
MW238.22 g/mol
LogP0.37
Rot. Bonds5

About (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide

(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 112674420) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID112674420
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
SMILESNC(=O)CONC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C11H11FN2O3/c12-9-4-2-1-3-8(9)5-6-11(16)14-17-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16)/b6-5+
InChIKeyJFLPJCLMSHTCKX-AATRIKPKSA-N
XLogP0.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide 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

(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
CID 107829734
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2603829
methyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277808
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-3-(2-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115968924
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614
(2-anilino-2-oxoethyl) (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613261
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
benzyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 140721856
tert-butyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]propanoate
CID 80999213

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide (CID 112674420) is (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide is NC(=O)CONC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is JFLPJCLMSHTCKX-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-9-4-2-1-3-8(9)5-6-11(16)14-17-7-10(13)15/h1-6H,7H2,(H2,13,15)(H,14,16)/b6-5+.
What are the key properties of (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 238.22 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 112674420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).