3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C28H28FN3O4 — CID 42841263

IUPAC3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1C(c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H28FN3O4/c1-18(2)16-30-27(34)24-25(36-28(35)32(24)17-19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-26(33)22-10-6-7-11-23(22)29/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyLZFPXAFTCLEJHX-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.91
Rot. Bonds8

About 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841263) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID42841263
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC Name3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1C(c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H28FN3O4/c1-18(2)16-30-27(34)24-25(36-28(35)32(24)17-19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-26(33)22-10-6-7-11-23(22)29/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyLZFPXAFTCLEJHX-UHFFFAOYSA-N
XLogP4.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841241
(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202810
3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841392
3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46020909
(4S,5R)-3-[(4-fluorophenyl)methyl]-5-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200872
N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841255
(4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93206816
(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202076
(4R,5S)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201362
3-benzyl-N-(2-methoxyethyl)-2-oxo-5-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840718
3-benzyl-N-butan-2-yl-5-[4-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46020953
(4S,5R)-3-benzyl-N-(3-fluorophenyl)-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201055

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841263) is 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CC(C)CNC(=O)C1C(c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is LZFPXAFTCLEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-18(2)16-30-27(34)24-25(36-28(35)32(24)17-19-8-4-3-5-9-19)20-12-14-21(15-13-20)31-26(33)22-10-6-7-11-23(22)29/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).