2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide

C12H11N3O4 — CID 142233998

IUPAC2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide
SMILESCC1=C(Nc2cccc(C(N)=O)c2O)C(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c1-5-8(12(19)15-11(5)18)14-7-4-2-3-6(9(7)16)10(13)17/h2-4,16H,1H3,(H2,13,17)(H2,14,15,18,19)
InChIKeyDIMKVOBKPVWMRA-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.17
Rot. Bonds3

About 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide

2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide (PubChem CID 142233998) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide
PubChem CID142233998
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide
SMILESCC1=C(Nc2cccc(C(N)=O)c2O)C(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c1-5-8(12(19)15-11(5)18)14-7-4-2-3-6(9(7)16)10(13)17/h2-4,16H,1H3,(H2,13,17)(H2,14,15,18,19)
InChIKeyDIMKVOBKPVWMRA-UHFFFAOYSA-N
XLogP-0.17
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-3-(2-methylsulfonylethylamino)benzamide
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3-[(2-chloroacetyl)amino]-2-methylbenzamide
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CID 62952099

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide?
The IUPAC name of 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide (CID 142233998) is 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide.
What is the SMILES notation for 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide?
The canonical SMILES for 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide is CC1=C(Nc2cccc(C(N)=O)c2O)C(=O)NC1=O.
What is the InChIKey of 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide?
The InChIKey is DIMKVOBKPVWMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-5-8(12(19)15-11(5)18)14-7-4-2-3-6(9(7)16)10(13)17/h2-4,16H,1H3,(H2,13,17)(H2,14,15,18,19).
What are the key properties of 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide?
2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide has a molecular weight of 261.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methyl-2,5-dioxopyrrol-3-yl)amino]benzamide is sourced from PubChem (CID 142233998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).