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15457-50-8 molecular structure
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N-(4-hydroxyphenyl)benzamide

ChemBase ID: 234025
Molecular Formular: C13H11NO2
Molecular Mass: 213.23194
Monoisotopic Mass: 213.0789786
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)O)c1ccccc1
Canonical SMILES:
Oc1ccc(cc1)NC(=O)c1ccccc1
InChI:
InChI=1S/C13H11NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-9,15H,(H,14,16)
InChIKey:
CVPWYDXAVJCNAG-UHFFFAOYSA-N

Cite this record

CBID:234025 http://www.chembase.cn/molecule-234025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxyphenyl)benzamide
IUPAC Traditional name
N-(4-hydroxyphenyl)benzamide
Synonyms
N-(4-hydroxyphenyl)benzamide
CAS Number
15457-50-8
MDL Number
MFCD00454145
PubChem SID
164289935
PubChem CID
459327

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08969 external link Add to cart Please log in.
Data Source Data ID
PubChem 459327 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.438034  H Acceptors
H Donor LogD (pH = 5.5) 2.7615156 
LogD (pH = 7.4) 2.7576284  Log P 2.7615652 
Molar Refractivity 63.5724 cm3 Polarizability 23.538277 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
215 - 217°C expand Show data source
Hydrophobicity(logP)
1.983 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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