4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C23H24F4N4O3 — CID 18726992

IUPAC4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCNC1CCN(c2ccc(F)cc2F)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C23H24F4N4O3/c24-15-2-4-20(19(27)12-15)30-9-5-16(6-10-30)28-7-8-29-22(32)31-21(13-34-23(31)33)14-1-3-17(25)18(26)11-14/h1-4,11-12,16,21,28H,5-10,13H2,(H,29,32)
InChIKeyCZRWFVZDRVDVIV-UHFFFAOYSA-N
MW480.46 g/mol
LogP3.70
Rot. Bonds6

About 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide

4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 18726992) has the molecular formula C23H24F4N4O3 and a molecular weight of 480.46 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID18726992
Molecular FormulaC23H24F4N4O3
Molecular Weight480.46 g/mol
Exact Mass480.18
IUPAC Name4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCNC1CCN(c2ccc(F)cc2F)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1
InChIInChI=1S/C23H24F4N4O3/c24-15-2-4-20(19(27)12-15)30-9-5-16(6-10-30)28-7-8-29-22(32)31-21(13-34-23(31)33)14-1-3-17(25)18(26)11-14/h1-4,11-12,16,21,28H,5-10,13H2,(H,29,32)
InChIKeyCZRWFVZDRVDVIV-UHFFFAOYSA-N
XLogP3.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-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 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 18726992) is 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide is O=C(NCCNC1CCN(c2ccc(F)cc2F)CC1)N1C(=O)OCC1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is CZRWFVZDRVDVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O3/c24-15-2-4-20(19(27)12-15)30-9-5-16(6-10-30)28-7-8-29-22(32)31-21(13-34-23(31)33)14-1-3-17(25)18(26)11-14/h1-4,11-12,16,21,28H,5-10,13H2,(H,29,32).
What are the key properties of 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 480.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 18726992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).