7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

C20H20N2O3 — CID 138037761

IUPAC7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C20H20N2O3/c1-22-16(13-6-2-3-7-14(13)20(22)25)11-21-19(24)15-10-9-12-5-4-8-17(23)18(12)15/h2-8,15-16,23H,9-11H2,1H3,(H,21,24)
InChIKeyCLAONFQCQBNRAP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds3

About 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 138037761) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID138037761
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1CNC(=O)C1CCc2cccc(O)c21
InChIInChI=1S/C20H20N2O3/c1-22-16(13-6-2-3-7-14(13)20(22)25)11-21-19(24)15-10-9-12-5-4-8-17(23)18(12)15/h2-8,15-16,23H,9-11H2,1H3,(H,21,24)
InChIKeyCLAONFQCQBNRAP-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 138037761) is 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is CN1C(=O)c2ccccc2C1CNC(=O)C1CCc2cccc(O)c21.
What is the InChIKey of 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is CLAONFQCQBNRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22-16(13-6-2-3-7-14(13)20(22)25)11-21-19(24)15-10-9-12-5-4-8-17(23)18(12)15/h2-8,15-16,23H,9-11H2,1H3,(H,21,24).
What are the key properties of 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 138037761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).