2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide

C25H29F2N3O5 — CID 162614575

IUPAC2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(O)NC2=O)C3O)cc1
InChIInChI=1S/C25H29F2N3O5/c1-14(2)35-18-6-4-17(5-7-18)25(26,27)24(34)28-12-15-3-8-19-16(11-15)13-30(23(19)33)20-9-10-21(31)29-22(20)32/h3-8,11,14,20-21,23,31,33H,9-10,12-13H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyPBBCIPOHNHLRPJ-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.29
Rot. Bonds7

About 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide

2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 162614575) has the molecular formula C25H29F2N3O5 and a molecular weight of 489.52 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID162614575
Molecular FormulaC25H29F2N3O5
Molecular Weight489.52 g/mol
Exact Mass489.21
IUPAC Name2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(O)NC2=O)C3O)cc1
InChIInChI=1S/C25H29F2N3O5/c1-14(2)35-18-6-4-17(5-7-18)25(26,27)24(34)28-12-15-3-8-19-16(11-15)13-30(23(19)33)20-9-10-21(31)29-22(20)32/h3-8,11,14,20-21,23,31,33H,9-10,12-13H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyPBBCIPOHNHLRPJ-UHFFFAOYSA-N
XLogP2.29
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 162614575) is 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(C(F)(F)C(=O)NCc2ccc3c(c2)CN(C2CCC(O)NC2=O)C3O)cc1.
What is the InChIKey of 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is PBBCIPOHNHLRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O5/c1-14(2)35-18-6-4-17(5-7-18)25(26,27)24(34)28-12-15-3-8-19-16(11-15)13-30(23(19)33)20-9-10-21(31)29-22(20)32/h3-8,11,14,20-21,23,31,33H,9-10,12-13H2,1-2H3,(H,28,34)(H,29,32).
What are the key properties of 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide?
2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 489.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-hydroxy-2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 162614575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).