N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide

C21H18N2O3 — CID 839598

IUPACN-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19-12-10-18(11-13-19)23-21(26)16-6-8-17(9-7-16)22-20(25)14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25)(H,23,26)
InChIKeyGJYGXOBOHNUOJM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.83
Rot. Bonds5

About N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide

N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 839598) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID839598
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19-12-10-18(11-13-19)23-21(26)16-6-8-17(9-7-16)22-20(25)14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25)(H,23,26)
InChIKeyGJYGXOBOHNUOJM-UHFFFAOYSA-N
XLogP3.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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MK2a Inhibitor
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N-2-Naphthylsalicylamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide (CID 839598) is N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is GJYGXOBOHNUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-12-10-18(11-13-19)23-21(26)16-6-8-17(9-7-16)22-20(25)14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25)(H,23,26).
What are the key properties of N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 839598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).