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

C17H12Cl2F2N2O3 — CID 162520729

IUPAC(5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C17H12Cl2F2N2O3/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)23-16(24)14-7-22-17(25)26-14/h1-6,14-15H,7H2,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyNFQAXCDEOUHRAO-AWEZNQCLSA-N
MW401.20 g/mol
LogP3.59
Rot. Bonds4

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

(5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520729) has the molecular formula C17H12Cl2F2N2O3 and a molecular weight of 401.20 g/mol. Its IUPAC name is (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520729
Molecular FormulaC17H12Cl2F2N2O3
Molecular Weight401.20 g/mol
Exact Mass400.02
IUPAC Name(5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C17H12Cl2F2N2O3/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)23-16(24)14-7-22-17(25)26-14/h1-6,14-15H,7H2,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyNFQAXCDEOUHRAO-AWEZNQCLSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520729) is (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)O1.
What is the InChIKey of (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is NFQAXCDEOUHRAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O3/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)23-16(24)14-7-22-17(25)26-14/h1-6,14-15H,7H2,(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 401.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).