1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide

C17H14N2O4 — CID 135906529

IUPAC1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(O)n(CCc3ccccc3)c(O)c2c1
InChIInChI=1S/C17H14N2O4/c20-15(18-23)12-6-7-13-14(10-12)17(22)19(16(13)21)9-8-11-4-2-1-3-5-11/h1-7,10,21-22H,8-9H2
InChIKeyQJYRNTCSYUTUPJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.20
Rot. Bonds4

About 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide

1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 135906529) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID135906529
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(O)n(CCc3ccccc3)c(O)c2c1
InChIInChI=1S/C17H14N2O4/c20-15(18-23)12-6-7-13-14(10-12)17(22)19(16(13)21)9-8-11-4-2-1-3-5-11/h1-7,10,21-22H,8-9H2
InChIKeyQJYRNTCSYUTUPJ-UHFFFAOYSA-N
XLogP3.20
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 135906529) is 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide is O=NC(=O)c1ccc2c(O)n(CCc3ccccc3)c(O)c2c1.
What is the InChIKey of 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is QJYRNTCSYUTUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15(18-23)12-6-7-13-14(10-12)17(22)19(16(13)21)9-8-11-4-2-1-3-5-11/h1-7,10,21-22H,8-9H2.
What are the key properties of 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide?
1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-N-oxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 135906529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).