[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C19H17ClFNO4 — CID 2387587

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24)
InChIKeyVGPKNAXPLCELEQ-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.30
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2387587) has the molecular formula C19H17ClFNO4 and a molecular weight of 377.80 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2387587
Molecular FormulaC19H17ClFNO4
Molecular Weight377.80 g/mol
Exact Mass377.08
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24)
InChIKeyVGPKNAXPLCELEQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate 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-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2387587) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is VGPKNAXPLCELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO4/c20-15-5-3-14(4-6-15)17(23)9-10-19(25)26-12-18(24)22-11-13-1-7-16(21)8-2-13/h1-8H,9-12H2,(H,22,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 377.80 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2387587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).