1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

C16H12N2O4 — CID 129218502

IUPAC1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1O
InChIInChI=1S/C16H12N2O4/c17-15(21)9-5-6-12-11(7-9)14(20)16(22)18(12)8-10-3-1-2-4-13(10)19/h1-7,19H,8H2,(H2,17,21)
InChIKeyKDULIVGCFMMBHH-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.22
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 129218502) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID129218502
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1O
InChIInChI=1S/C16H12N2O4/c17-15(21)9-5-6-12-11(7-9)14(20)16(22)18(12)8-10-3-1-2-4-13(10)19/h1-7,19H,8H2,(H2,17,21)
InChIKeyKDULIVGCFMMBHH-UHFFFAOYSA-N
XLogP1.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (CID 129218502) is 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is KDULIVGCFMMBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c17-15(21)9-5-6-12-11(7-9)14(20)16(22)18(12)8-10-3-1-2-4-13(10)19/h1-7,19H,8H2,(H2,17,21).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 129218502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).