(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide

C16H20ClFN2O3 — CID 99826918

IUPAC(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
SMILESCC(C)(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN2O3/c1-16(2,11-5-3-9(17)7-12(11)18)15(22)20-8-10-4-6-13(23-10)14(19)21/h3,5,7,10,13H,4,6,8H2,1-2H3,(H2,19,21)(H,20,22)/t10-,13+/m0/s1
InChIKeyIXZCNRNMJMYMNV-GXFFZTMASA-N
MW342.80 g/mol
LogP1.91
Rot. Bonds5

About (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide

(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 99826918) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID99826918
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Name(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
SMILESCC(C)(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN2O3/c1-16(2,11-5-3-9(17)7-12(11)18)15(22)20-8-10-4-6-13(23-10)14(19)21/h3,5,7,10,13H,4,6,8H2,1-2H3,(H2,19,21)(H,20,22)/t10-,13+/m0/s1
InChIKeyIXZCNRNMJMYMNV-GXFFZTMASA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide (CID 99826918) is (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide is CC(C)(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1F.
What is the InChIKey of (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is IXZCNRNMJMYMNV-GXFFZTMASA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-16(2,11-5-3-9(17)7-12(11)18)15(22)20-8-10-4-6-13(23-10)14(19)21/h3,5,7,10,13H,4,6,8H2,1-2H3,(H2,19,21)(H,20,22)/t10-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide?
(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 99826918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).