1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

C16H12N2O4 — CID 129218234

IUPAC1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O)cc1
InChIInChI=1S/C16H12N2O4/c17-15(21)10-3-6-13-12(7-10)14(20)16(22)18(13)8-9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H2,17,21)
InChIKeyIQOCLRDBCYBLTG-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.22
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 129218234) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID129218234
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O)cc1
InChIInChI=1S/C16H12N2O4/c17-15(21)10-3-6-13-12(7-10)14(20)16(22)18(13)8-9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H2,17,21)
InChIKeyIQOCLRDBCYBLTG-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
CID 129218502
1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944
2,3-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 129218352
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
4-[(2,3-dioxo-5-sulfoindol-1-yl)methyl]benzoic acid
CID 129218422
methyl 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]benzoate
CID 155669339
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
5-amino-1-benzylindole-2,3-dione
CID 53306407
1-[(4-hydroxyphenyl)methyl]pyrrole-2,5-dione
CID 22989029
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
1-[(4-nitrophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218557

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (CID 129218234) is 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is IQOCLRDBCYBLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c17-15(21)10-3-6-13-12(7-10)14(20)16(22)18(13)8-9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H2,17,21).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(4-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-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 129218234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).