(2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C23H20Cl2FN3O5 — CID 155263102

About (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155263102) has the molecular formula C23H20Cl2FN3O5 and a molecular weight of 508.33 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155263102
• Molecular Formula: C23H20Cl2FN3O5
• Molecular Weight: 508.33 g/mol
• Exact Mass: 507.08
• IUPAC Name: (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: C=C(CCNC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1)c1nnc(COc2ccc(Cl)c(F)c2)o1
• InChI: InChI=1S/C23H20Cl2FN3O5/c1-12(23-29-28-21(34-23)11-32-14-3-4-16(25)17(26)9-14)6-7-27-22(31)20-10-18(30)15-8-13(24)2-5-19(15)33-20/h2-5,8-9,18,20,30H,1,6-7,10-11H2,(H,27,31)/t18-,20-/m1/s1
• InChIKey: LLPRYZPEPRDESO-UYAOXDASSA-N
• XLogP: 4.50
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.33
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155263102) is (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is C=C(CCNC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1)c1nnc(COc2ccc(Cl)c(F)c2)o1.

What is the InChIKey of (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is LLPRYZPEPRDESO-UYAOXDASSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O5/c1-12(23-29-28-21(34-23)11-32-14-3-4-16(25)17(26)9-14)6-7-27-22(31)20-10-18(30)15-8-13(24)2-5-19(15)33-20/h2-5,8-9,18,20,30H,1,6-7,10-11H2,(H,27,31)/t18-,20-/m1/s1.

What are the key properties of (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

(2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 508.33 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155263102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).