N-(2,4-dihydroxyphenyl)-2-formylbenzamide

C14H11NO4 — CID 88891446

IUPACN-(2,4-dihydroxyphenyl)-2-formylbenzamide
SMILESO=Cc1ccccc1C(=O)Nc1ccc(O)cc1O
InChIInChI=1S/C14H11NO4/c16-8-9-3-1-2-4-11(9)14(19)15-12-6-5-10(17)7-13(12)18/h1-8,17-18H,(H,15,19)
InChIKeyXYSGODLTUFUGMS-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.16
Rot. Bonds3

About N-(2,4-dihydroxyphenyl)-2-formylbenzamide

N-(2,4-dihydroxyphenyl)-2-formylbenzamide (PubChem CID 88891446) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2,4-dihydroxyphenyl)-2-formylbenzamide.

Molecular Properties

Compound NameN-(2,4-dihydroxyphenyl)-2-formylbenzamide
PubChem CID88891446
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC NameN-(2,4-dihydroxyphenyl)-2-formylbenzamide
SMILESO=Cc1ccccc1C(=O)Nc1ccc(O)cc1O
InChIInChI=1S/C14H11NO4/c16-8-9-3-1-2-4-11(9)14(19)15-12-6-5-10(17)7-13(12)18/h1-8,17-18H,(H,15,19)
InChIKeyXYSGODLTUFUGMS-UHFFFAOYSA-N
XLogP2.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxyphenyl)-2-formylbenzamide?
The IUPAC name of N-(2,4-dihydroxyphenyl)-2-formylbenzamide (CID 88891446) is N-(2,4-dihydroxyphenyl)-2-formylbenzamide.
What is the SMILES notation for N-(2,4-dihydroxyphenyl)-2-formylbenzamide?
The canonical SMILES for N-(2,4-dihydroxyphenyl)-2-formylbenzamide is O=Cc1ccccc1C(=O)Nc1ccc(O)cc1O.
What is the InChIKey of N-(2,4-dihydroxyphenyl)-2-formylbenzamide?
The InChIKey is XYSGODLTUFUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-8-9-3-1-2-4-11(9)14(19)15-12-6-5-10(17)7-13(12)18/h1-8,17-18H,(H,15,19).
What are the key properties of N-(2,4-dihydroxyphenyl)-2-formylbenzamide?
N-(2,4-dihydroxyphenyl)-2-formylbenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxyphenyl)-2-formylbenzamide is sourced from PubChem (CID 88891446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).