4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide

C24H27FN2O3 — CID 118468389

IUPAC4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cc2cc3c(c(C)c2C)CN(C[C@@H]2CCCO2)C3=O)cc1F
InChIInChI=1S/C24H27FN2O3/c1-14-15(2)21-13-27(12-18-5-4-8-30-18)24(29)20(21)11-17(14)9-16-6-7-19(22(25)10-16)23(28)26-3/h6-7,10-11,18H,4-5,8-9,12-13H2,1-3H3,(H,26,28)/t18-/m0/s1
InChIKeyGPDFRIOUQKDGIE-SFHVURJKSA-N
MW410.49 g/mol
LogP3.53
Rot. Bonds5

About 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide

4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide (PubChem CID 118468389) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide
PubChem CID118468389
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cc2cc3c(c(C)c2C)CN(C[C@@H]2CCCO2)C3=O)cc1F
InChIInChI=1S/C24H27FN2O3/c1-14-15(2)21-13-27(12-18-5-4-8-30-18)24(29)20(21)11-17(14)9-16-6-7-19(22(25)10-16)23(28)26-3/h6-7,10-11,18H,4-5,8-9,12-13H2,1-3H3,(H,26,28)/t18-/m0/s1
InChIKeyGPDFRIOUQKDGIE-SFHVURJKSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

2-fluoro-4-[[2-[(1S,2S)-2-hydroxycyclopentyl]-6,7-dimethyl-3-oxo-1H-isoindol-5-yl]methyl]-N-methylbenzamide
CID 118468295
4,5-dimethyl-6-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one
CID 118468205
6-[[4-(1-amino-3-methyliminoprop-1-enyl)-2-fluorophenyl]methyl]-5-methyl-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one
CID 147630040
5-ethyl-6-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one
CID 118468250
N-[(2-methylphenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46653554
2-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[3-[(3R,4S)-3-hydroxyoxan-4-yl]-7,8-dimethyl-4-oxoquinazolin-6-yl]methyl]benzamide
CID 162466553
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
N-(3-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 46253619
5-[[3-fluoro-4-(oxetan-3-ylcarbamoyl)phenyl]methyl]-4-methyl-N-(oxan-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 166684914
9-[2-(4-fluoro-3-methylphenyl)acetyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72909705
2-methoxy-3,4-dimethyl-5-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 137404598
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide (CID 118468389) is 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(Cc2cc3c(c(C)c2C)CN(C[C@@H]2CCCO2)C3=O)cc1F.
What is the InChIKey of 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is GPDFRIOUQKDGIE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-14-15(2)21-13-27(12-18-5-4-8-30-18)24(29)20(21)11-17(14)9-16-6-7-19(22(25)10-16)23(28)26-3/h6-7,10-11,18H,4-5,8-9,12-13H2,1-3H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide?
4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 410.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6,7-dimethyl-3-oxo-2-[[(2S)-oxolan-2-yl]methyl]-1H-isoindol-5-yl]methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 118468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).