ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate

C18H20FNO4 — CID 88995654

IUPACethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate
SMILESCCOCC(C(=O)OCC)N(F)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H20FNO4/c1-3-23-12-16(18(22)24-4-2)20(19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4,12H2,1-2H3
InChIKeyMYSFOHMMYLFTHB-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.13
Rot. Bonds7

About ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate

ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate (PubChem CID 88995654) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate
PubChem CID88995654
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Nameethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate
SMILESCCOCC(C(=O)OCC)N(F)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H20FNO4/c1-3-23-12-16(18(22)24-4-2)20(19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4,12H2,1-2H3
InChIKeyMYSFOHMMYLFTHB-UHFFFAOYSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate (CID 88995654) is ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate is CCOCC(C(=O)OCC)N(F)C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate?
The InChIKey is MYSFOHMMYLFTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-3-23-12-16(18(22)24-4-2)20(19)17(21)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4,12H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate?
ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate has a molecular weight of 333.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate is sourced from PubChem (CID 88995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).