(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide

C22H23Cl2NO3 — CID 70841632

IUPAC(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide
SMILESCCCN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)O[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H23Cl2NO3/c1-2-12-25(13-11-15-3-7-17(23)8-4-15)22(27)19-14-20(26)28-21(19)16-5-9-18(24)10-6-16/h3-10,19,21H,2,11-14H2,1H3/t19-,21+/m1/s1
InChIKeyMSTVZXWRUNAOQT-CTNGQTDRSA-N
MW420.34 g/mol
LogP5.08
Rot. Bonds7

About (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide

(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide (PubChem CID 70841632) has the molecular formula C22H23Cl2NO3 and a molecular weight of 420.34 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide
PubChem CID70841632
Molecular FormulaC22H23Cl2NO3
Molecular Weight420.34 g/mol
Exact Mass419.11
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide
SMILESCCCN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)O[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H23Cl2NO3/c1-2-12-25(13-11-15-3-7-17(23)8-4-15)22(27)19-14-20(26)28-21(19)16-5-9-18(24)10-6-16/h3-10,19,21H,2,11-14H2,1H3/t19-,21+/m1/s1
InChIKeyMSTVZXWRUNAOQT-CTNGQTDRSA-N
XLogP5.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide (CID 70841632) is (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide is CCCN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)O[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide?
The InChIKey is MSTVZXWRUNAOQT-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H23Cl2NO3/c1-2-12-25(13-11-15-3-7-17(23)8-4-15)22(27)19-14-20(26)28-21(19)16-5-9-18(24)10-6-16/h3-10,19,21H,2,11-14H2,1H3/t19-,21+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide?
(2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-5-oxo-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 70841632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).