2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate

C25H18ClFN2O4 — CID 2348886

IUPAC2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate
SMILESO=C(NCCOC(=O)c1ccc(F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12
InChIInChI=1S/C25H18ClFN2O4/c26-18-8-4-16(5-9-18)21-15-20-3-1-2-13-29(20)22(21)23(30)24(31)28-12-14-33-25(32)17-6-10-19(27)11-7-17/h1-11,13,15H,12,14H2,(H,28,31)
InChIKeyCWZKHPSAFANDEN-UHFFFAOYSA-N
MW464.88 g/mol
LogP4.55
Rot. Bonds7

About 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate

2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate (PubChem CID 2348886) has the molecular formula C25H18ClFN2O4 and a molecular weight of 464.88 g/mol. Its IUPAC name is 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate.

Molecular Properties

Compound Name2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate
PubChem CID2348886
Molecular FormulaC25H18ClFN2O4
Molecular Weight464.88 g/mol
Exact Mass464.09
IUPAC Name2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate
SMILESO=C(NCCOC(=O)c1ccc(F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12
InChIInChI=1S/C25H18ClFN2O4/c26-18-8-4-16(5-9-18)21-15-20-3-1-2-13-29(20)22(21)23(30)24(31)28-12-14-33-25(32)17-6-10-19(27)11-7-17/h1-11,13,15H,12,14H2,(H,28,31)
InChIKeyCWZKHPSAFANDEN-UHFFFAOYSA-N
XLogP4.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate 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-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate?
The IUPAC name of 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate (CID 2348886) is 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate.
What is the SMILES notation for 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate?
The canonical SMILES for 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate is O=C(NCCOC(=O)c1ccc(F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12.
What is the InChIKey of 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate?
The InChIKey is CWZKHPSAFANDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O4/c26-18-8-4-16(5-9-18)21-15-20-3-1-2-13-29(20)22(21)23(30)24(31)28-12-14-33-25(32)17-6-10-19(27)11-7-17/h1-11,13,15H,12,14H2,(H,28,31).
What are the key properties of 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate?
2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate has a molecular weight of 464.88 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chlorophenyl)indolizin-3-yl]-2-oxoacetyl]amino]ethyl 4-fluorobenzoate is sourced from PubChem (CID 2348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).