N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide

C15H16FNO3 — CID 166417291

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(C)c1cc2cccc(OCC)c2o1
InChIInChI=1S/C15H16FNO3/c1-4-19-12-7-5-6-11-8-13(20-14(11)12)10(3)17-15(18)9(2)16/h5-8,10H,2,4H2,1,3H3,(H,17,18)
InChIKeyOFOUXZGISDSSPR-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide (PubChem CID 166417291) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
PubChem CID166417291
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(C)c1cc2cccc(OCC)c2o1
InChIInChI=1S/C15H16FNO3/c1-4-19-12-7-5-6-11-8-13(20-14(11)12)10(3)17-15(18)9(2)16/h5-8,10H,2,4H2,1,3H3,(H,17,18)
InChIKeyOFOUXZGISDSSPR-UHFFFAOYSA-N
XLogP3.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-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

4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134056578
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide (CID 166417291) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)NC(C)c1cc2cccc(OCC)c2o1.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide?
The InChIKey is OFOUXZGISDSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-4-19-12-7-5-6-11-8-13(20-14(11)12)10(3)17-15(18)9(2)16/h5-8,10H,2,4H2,1,3H3,(H,17,18).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide has a molecular weight of 277.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 166417291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).