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

C16H12N2O5 — CID 515971

IUPAC1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc(O)cc(O)c1
InChIInChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22)
InChIKeyYRUPFXOYFDKGAN-UHFFFAOYSA-N
MW312.28 g/mol
LogP0.93
Rot. Bonds3

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

1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 515971) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID515971
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc(O)cc(O)c1
InChIInChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22)
InChIKeyYRUPFXOYFDKGAN-UHFFFAOYSA-N
XLogP0.93
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3-Methoxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515967
1-[(3,5-Dimethoxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515968
1-[(3-Hydroxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515970
1-[(6-Hydroxy-2-naphthyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515972
1-[(3,5-dihydroxyphenyl)methyl]-N-hydroxy-4-oxoquinoline-3-carboxamide
CID 156009596
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-hydroxyphenyl)acetamide
CID 3329233
Diacetyl-bis-oxyphenylisatin
CID 129636644
2-(5-(4-Hydroxyphenyl)-2,3-dioxoindolin-1-yl)acetic acid
CID 155926368
2-(5-(3-Hydroxyphenyl)-2,3-dioxoindolin-1-yl)acetic acid
CID 155926372
7-Fluoro-1-[(3-hydroxyphenyl)methyl]-5-methylindole-2,3-dione
CID 80096691
6-Fluoro-1-[(3-hydroxyphenyl)methyl]indole-2,3-dione
CID 80100747
5-Fluoro-1-[(3-hydroxyphenyl)methyl]indole-2,3-dione
CID 80100915

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (CID 515971) is 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1cc(O)cc(O)c1.
What is the InChIKey of 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is YRUPFXOYFDKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22).
What are the key properties of 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dihydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).