2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C20H19F2N3O2 — CID 95719767

IUPAC2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CCN(Cc3ccc(F)cc3F)C2)c2ccccc21
InChIInChI=1S/C20H19F2N3O2/c21-14-6-5-13(16(22)9-14)10-24-8-7-20(12-24)15-3-1-2-4-17(15)25(19(20)27)11-18(23)26/h1-6,9H,7-8,10-12H2,(H2,23,26)/t20-/m0/s1
InChIKeySAMSKXPQBRCEIL-FQEVSTJZSA-N
MW371.39 g/mol
LogP1.94
Rot. Bonds4

About 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 95719767) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID95719767
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CCN(Cc3ccc(F)cc3F)C2)c2ccccc21
InChIInChI=1S/C20H19F2N3O2/c21-14-6-5-13(16(22)9-14)10-24-8-7-20(12-24)15-3-1-2-4-17(15)25(19(20)27)11-18(23)26/h1-6,9H,7-8,10-12H2,(H2,23,26)/t20-/m0/s1
InChIKeySAMSKXPQBRCEIL-FQEVSTJZSA-N
XLogP1.94
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 95719767) is 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is NC(=O)CN1C(=O)[C@]2(CCN(Cc3ccc(F)cc3F)C2)c2ccccc21.
What is the InChIKey of 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is SAMSKXPQBRCEIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-6-5-13(16(22)9-14)10-24-8-7-20(12-24)15-3-1-2-4-17(15)25(19(20)27)11-18(23)26/h1-6,9H,7-8,10-12H2,(H2,23,26)/t20-/m0/s1.
What are the key properties of 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 95719767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).