(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H13Cl2FN2O3 — CID 162520694

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C17H13Cl2FN2O3/c18-11-4-1-9(2-5-11)15(10-3-6-13(20)12(19)7-10)22-16(23)14-8-21-17(24)25-14/h1-7,14-15H,8H2,(H,21,24)(H,22,23)/t14-,15?/m0/s1
InChIKeyJXGSNARZWMRODL-MLCCFXAWSA-N
MW383.21 g/mol
LogP3.45
Rot. Bonds4

About (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520694) has the molecular formula C17H13Cl2FN2O3 and a molecular weight of 383.21 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520694
Molecular FormulaC17H13Cl2FN2O3
Molecular Weight383.21 g/mol
Exact Mass382.03
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C17H13Cl2FN2O3/c18-11-4-1-9(2-5-11)15(10-3-6-13(20)12(19)7-10)22-16(23)14-8-21-17(24)25-14/h1-7,14-15H,8H2,(H,21,24)(H,22,23)/t14-,15?/m0/s1
InChIKeyJXGSNARZWMRODL-MLCCFXAWSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520694) is (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is JXGSNARZWMRODL-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O3/c18-11-4-1-9(2-5-11)15(10-3-6-13(20)12(19)7-10)22-16(23)14-8-21-17(24)25-14/h1-7,14-15H,8H2,(H,21,24)(H,22,23)/t14-,15?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).