5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C26H24FN3O4 — CID 46021169

IUPAC5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C26H24FN3O4/c1-2-28-25(32)22-23(34-26(33)30(22)16-17-11-13-20(27)14-12-17)19-9-6-10-21(15-19)29-24(31)18-7-4-3-5-8-18/h3-15,22-23H,2,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyVJAJCZDNSCGGAJ-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.28
Rot. Bonds7

About 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021169) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID46021169
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C26H24FN3O4/c1-2-28-25(32)22-23(34-26(33)30(22)16-17-11-13-20(27)14-12-17)19-9-6-10-21(15-19)29-24(31)18-7-4-3-5-8-18/h3-15,22-23H,2,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyVJAJCZDNSCGGAJ-UHFFFAOYSA-N
XLogP4.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide 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 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021169) is 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCNC(=O)C1C(c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is VJAJCZDNSCGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-2-28-25(32)22-23(34-26(33)30(22)16-17-11-13-20(27)14-12-17)19-9-6-10-21(15-19)29-24(31)18-7-4-3-5-8-18/h3-15,22-23H,2,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzamidophenyl)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).