4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide

C22H19NO5 — CID 2230807

IUPAC4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H19NO5/c1-27-19-13-18(22(26)23-15-8-10-16(24)11-9-15)20(28-2)12-17(19)21(25)14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,23,26)
InChIKeyQMUJAVRWBOZLCG-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.89
Rot. Bonds6

About 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide

4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide (PubChem CID 2230807) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
PubChem CID2230807
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H19NO5/c1-27-19-13-18(22(26)23-15-8-10-16(24)11-9-15)20(28-2)12-17(19)21(25)14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,23,26)
InChIKeyQMUJAVRWBOZLCG-UHFFFAOYSA-N
XLogP3.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide?
The IUPAC name of 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide (CID 2230807) is 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide is COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide?
The InChIKey is QMUJAVRWBOZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-19-13-18(22(26)23-15-8-10-16(24)11-9-15)20(28-2)12-17(19)21(25)14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H,23,26).
What are the key properties of 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide?
4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 2230807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).