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

C13H14ClFN2O3 — CID 59362327

IUPAC(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCN1C(=O)OC[C@@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-2-17-11(7-20-13(17)19)12(18)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,2,6-7H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyIHXUAUQICBCLFY-LLVKDONJSA-N
MW300.72 g/mol
LogP1.94
Rot. Bonds4

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

(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 59362327) has the molecular formula C13H14ClFN2O3 and a molecular weight of 300.72 g/mol. Its IUPAC name is (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID59362327
Molecular FormulaC13H14ClFN2O3
Molecular Weight300.72 g/mol
Exact Mass300.07
IUPAC Name(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCN1C(=O)OC[C@@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H14ClFN2O3/c1-2-17-11(7-20-13(17)19)12(18)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,2,6-7H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyIHXUAUQICBCLFY-LLVKDONJSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020193
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxo-D-prolinamide
CID 49865054
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 49864876
(2S)-N-(2-chloro-4-fluorobenzyl)-1-ethylpyrrolidine-2-carboxamide
CID 49865009
(2S)-1-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 49865010
(3S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-5-oxomorpholine-3-carboxamide
CID 52941885

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 59362327) is (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide is CCN1C(=O)OC[C@@H]1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is IHXUAUQICBCLFY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClFN2O3/c1-2-17-11(7-20-13(17)19)12(18)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,2,6-7H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 300.72 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 59362327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).