N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide

C26H20N2O5 — CID 1230978

IUPACN-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3O)c2)cc1
InChIInChI=1S/C26H20N2O5/c29-23-10-3-1-8-21(23)27-25(31)17-12-14-19(15-13-17)33-20-7-5-6-18(16-20)26(32)28-22-9-2-4-11-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32)
InChIKeyARMUMDQSBHKWPS-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.39
Rot. Bonds6

About N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide

N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide (PubChem CID 1230978) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide
PubChem CID1230978
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC NameN-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3O)c2)cc1
InChIInChI=1S/C26H20N2O5/c29-23-10-3-1-8-21(23)27-25(31)17-12-14-19(15-13-17)33-20-7-5-6-18(16-20)26(32)28-22-9-2-4-11-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32)
InChIKeyARMUMDQSBHKWPS-UHFFFAOYSA-N
XLogP5.39
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide (CID 1230978) is N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide is O=C(Nc1ccccc1O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3O)c2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide?
The InChIKey is ARMUMDQSBHKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-23-10-3-1-8-21(23)27-25(31)17-12-14-19(15-13-17)33-20-7-5-6-18(16-20)26(32)28-22-9-2-4-11-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32).
What are the key properties of N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide?
N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide has a molecular weight of 440.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-[4-[(2-hydroxyphenyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 1230978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).