N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide

C23H20F3N3O5 — CID 90730915

IUPACN-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@]1(n2cc3cc(CNC(=O)c4ccc(OC(F)(F)F)cc4)ccc3c2O)CCC(=O)NC1=O
InChIInChI=1S/C23H20F3N3O5/c1-22(9-8-18(30)28-21(22)33)29-12-15-10-13(2-7-17(15)20(29)32)11-27-19(31)14-3-5-16(6-4-14)34-23(24,25)26/h2-7,10,12,32H,8-9,11H2,1H3,(H,27,31)(H,28,30,33)/t22-/m0/s1
InChIKeyOSSFISKWYSJVHI-QFIPXVFZSA-N
MW475.42 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 90730915) has the molecular formula C23H20F3N3O5 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID90730915
Molecular FormulaC23H20F3N3O5
Molecular Weight475.42 g/mol
Exact Mass475.14
IUPAC NameN-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@]1(n2cc3cc(CNC(=O)c4ccc(OC(F)(F)F)cc4)ccc3c2O)CCC(=O)NC1=O
InChIInChI=1S/C23H20F3N3O5/c1-22(9-8-18(30)28-21(22)33)29-12-15-10-13(2-7-17(15)20(29)32)11-27-19(31)14-3-5-16(6-4-14)34-23(24,25)26/h2-7,10,12,32H,8-9,11H2,1H3,(H,27,31)(H,28,30,33)/t22-/m0/s1
InChIKeyOSSFISKWYSJVHI-QFIPXVFZSA-N
XLogP3.33
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44476261
4-hydroxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44543780
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544347
3-oxo-2-(2-pyridin-4-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544644
3-oxo-2-(2-pyridin-3-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544645
3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]methyl]-1H-isoindole-1-carboxamide
CID 44544950
2-(2,2-difluoro-2-pyridin-2-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545053
3-oxo-2-(3-pyridin-2-ylpropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545055
7-methoxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545166
7-hydroxy-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545167
2-(2-methyl-1-pyridin-2-ylpropan-2-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545168
7-methyl-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545169

Frequently Asked Questions

What is the IUPAC name of N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 90730915) is N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide is C[C@]1(n2cc3cc(CNC(=O)c4ccc(OC(F)(F)F)cc4)ccc3c2O)CCC(=O)NC1=O.
What is the InChIKey of N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is OSSFISKWYSJVHI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20F3N3O5/c1-22(9-8-18(30)28-21(22)33)29-12-15-10-13(2-7-17(15)20(29)32)11-27-19(31)14-3-5-16(6-4-14)34-23(24,25)26/h2-7,10,12,32H,8-9,11H2,1H3,(H,27,31)(H,28,30,33)/t22-/m0/s1.
What are the key properties of N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 475.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-hydroxy-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90730915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).