N'-benzhydryl-N-(4-hydroxyphenyl)oxamide

C21H18N2O3 — CID 108501977

IUPACN'-benzhydryl-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-18-13-11-17(12-14-18)22-20(25)21(26)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H,22,25)(H,23,26)
InChIKeyHBYLZIBVWWYBLI-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.24
Rot. Bonds4

About N'-benzhydryl-N-(4-hydroxyphenyl)oxamide

N'-benzhydryl-N-(4-hydroxyphenyl)oxamide (PubChem CID 108501977) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N'-benzhydryl-N-(4-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(4-hydroxyphenyl)oxamide
PubChem CID108501977
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN'-benzhydryl-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-18-13-11-17(12-14-18)22-20(25)21(26)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H,22,25)(H,23,26)
InChIKeyHBYLZIBVWWYBLI-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
CID 176914678
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(4-hydroxyphenyl)oxamide?
The IUPAC name of N'-benzhydryl-N-(4-hydroxyphenyl)oxamide (CID 108501977) is N'-benzhydryl-N-(4-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-benzhydryl-N-(4-hydroxyphenyl)oxamide?
The canonical SMILES for N'-benzhydryl-N-(4-hydroxyphenyl)oxamide is O=C(Nc1ccc(O)cc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydryl-N-(4-hydroxyphenyl)oxamide?
The InChIKey is HBYLZIBVWWYBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-18-13-11-17(12-14-18)22-20(25)21(26)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H,22,25)(H,23,26).
What are the key properties of N'-benzhydryl-N-(4-hydroxyphenyl)oxamide?
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide has a molecular weight of 346.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-(4-hydroxyphenyl)oxamide is sourced from PubChem (CID 108501977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).