2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

C23H24ClF2N3O4 — CID 123478682

IUPAC2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc(C(O)C(CN2CCCC2)NC(=O)C(F)(F)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C23H24ClF2N3O4/c1-32-20-7-4-14(12-27-20)21(30)17(13-29-8-2-3-9-29)28-22(31)23(25,26)19-11-15-10-16(24)5-6-18(15)33-19/h4-7,10-12,17,21,30H,2-3,8-9,13H2,1H3,(H,28,31)
InChIKeyDFWXYQLJAXEUJD-UHFFFAOYSA-N
MW479.91 g/mol
LogP3.90
Rot. Bonds8

About 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide

2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 123478682) has the molecular formula C23H24ClF2N3O4 and a molecular weight of 479.91 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID123478682
Molecular FormulaC23H24ClF2N3O4
Molecular Weight479.91 g/mol
Exact Mass479.14
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc(C(O)C(CN2CCCC2)NC(=O)C(F)(F)c2cc3cc(Cl)ccc3o2)cn1
InChIInChI=1S/C23H24ClF2N3O4/c1-32-20-7-4-14(12-27-20)21(30)17(13-29-8-2-3-9-29)28-22(31)23(25,26)19-11-15-10-16(24)5-6-18(15)33-19/h4-7,10-12,17,21,30H,2-3,8-9,13H2,1H3,(H,28,31)
InChIKeyDFWXYQLJAXEUJD-UHFFFAOYSA-N
XLogP3.90
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 123478682) is 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is COc1ccc(C(O)C(CN2CCCC2)NC(=O)C(F)(F)c2cc3cc(Cl)ccc3o2)cn1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is DFWXYQLJAXEUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3O4/c1-32-20-7-4-14(12-27-20)21(30)17(13-29-8-2-3-9-29)28-22(31)23(25,26)19-11-15-10-16(24)5-6-18(15)33-19/h4-7,10-12,17,21,30H,2-3,8-9,13H2,1H3,(H,28,31).
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 479.91 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoro-N-[1-hydroxy-1-(6-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 123478682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).