3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C30H24ClFN4O4 — CID 46021399

IUPAC3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc(C2OC(=O)N(Cc3cccc(Cl)c3)C2C(=O)NCc2ccccn2)c1)c1ccc(F)cc1
InChIInChI=1S/C30H24ClFN4O4/c31-22-7-3-5-19(15-22)18-36-26(29(38)34-17-25-8-1-2-14-33-25)27(40-30(36)39)21-6-4-9-24(16-21)35-28(37)20-10-12-23(32)13-11-20/h1-16,26-27H,17-18H2,(H,34,38)(H,35,37)
InChIKeyLPLNCPGDMUABPA-UHFFFAOYSA-N
MW559.00 g/mol
LogP5.50
Rot. Bonds8

About 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 46021399) has the molecular formula C30H24ClFN4O4 and a molecular weight of 559.00 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID46021399
Molecular FormulaC30H24ClFN4O4
Molecular Weight559.00 g/mol
Exact Mass558.15
IUPAC Name3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc(C2OC(=O)N(Cc3cccc(Cl)c3)C2C(=O)NCc2ccccn2)c1)c1ccc(F)cc1
InChIInChI=1S/C30H24ClFN4O4/c31-22-7-3-5-19(15-22)18-36-26(29(38)34-17-25-8-1-2-14-33-25)27(40-30(36)39)21-6-4-9-24(16-21)35-28(37)20-10-12-23(32)13-11-20/h1-16,26-27H,17-18H2,(H,34,38)(H,35,37)
InChIKeyLPLNCPGDMUABPA-UHFFFAOYSA-N
XLogP5.50
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.00
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-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 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 46021399) is 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is O=C(Nc1cccc(C2OC(=O)N(Cc3cccc(Cl)c3)C2C(=O)NCc2ccccn2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is LPLNCPGDMUABPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN4O4/c31-22-7-3-5-19(15-22)18-36-26(29(38)34-17-25-8-1-2-14-33-25)27(40-30(36)39)21-6-4-9-24(16-21)35-28(37)20-10-12-23(32)13-11-20/h1-16,26-27H,17-18H2,(H,34,38)(H,35,37).
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 559.00 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).