[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

C19H17ClFNO3 — CID 7786849

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO3/c20-17-4-2-1-3-15(17)7-10-19(24)25-13-18(23)22-12-11-14-5-8-16(21)9-6-14/h1-10H,11-13H2,(H,22,23)/b10-7+
InChIKeyULXMMHFEYAXXGT-JXMROGBWSA-N
MW361.80 g/mol
LogP3.39
Rot. Bonds7

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 7786849) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID7786849
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO3/c20-17-4-2-1-3-15(17)7-10-19(24)25-13-18(23)22-12-11-14-5-8-16(21)9-6-14/h1-10H,11-13H2,(H,22,23)/b10-7+
InChIKeyULXMMHFEYAXXGT-JXMROGBWSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate 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 [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (CID 7786849) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is ULXMMHFEYAXXGT-JXMROGBWSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c20-17-4-2-1-3-15(17)7-10-19(24)25-13-18(23)22-12-11-14-5-8-16(21)9-6-14/h1-10H,11-13H2,(H,22,23)/b10-7+.
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 361.80 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 7786849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).