6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C23H18Cl2FN3O5 — CID 155717342

About 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155717342) has the molecular formula C23H18Cl2FN3O5 and a molecular weight of 506.32 g/mol. Its IUPAC name is 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155717342
• Molecular Formula: C23H18Cl2FN3O5
• Molecular Weight: 506.32 g/mol
• Exact Mass: 505.06
• IUPAC Name: 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC12CC1(c1nnc(COc3ccc(Cl)c(F)c3)o1)C2)C1CC(O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C23H18Cl2FN3O5/c24-11-1-4-17-13(5-11)16(30)7-18(33-17)20(31)27-23-9-22(23,10-23)21-29-28-19(34-21)8-32-12-2-3-14(25)15(26)6-12/h1-6,16,18,30H,7-10H2,(H,27,31)
• InChIKey: ZJPQODLLTYTYSV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 106.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.32
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155717342) is 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC1(c1nnc(COc3ccc(Cl)c(F)c3)o1)C2)C1CC(O)c2cc(Cl)ccc2O1.

What is the InChIKey of 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is ZJPQODLLTYTYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O5/c24-11-1-4-17-13(5-11)16(30)7-18(33-17)20(31)27-23-9-22(23,10-23)21-29-28-19(34-21)8-32-12-2-3-14(25)15(26)6-12/h1-6,16,18,30H,7-10H2,(H,27,31).

What are the key properties of 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 506.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155717342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).