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71255-53-3 molecular structure
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N-(2-aminophenyl)-4-methylbenzamide

ChemBase ID: 255370
Molecular Formular: C14H14N2O
Molecular Mass: 226.27376
Monoisotopic Mass: 226.11061308
SMILES and InChIs

SMILES:
C(=O)(Nc1c(N)cccc1)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)C(=O)Nc1ccccc1N
InChI:
InChI=1S/C14H14N2O/c1-10-6-8-11(9-7-10)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKey:
LZURKGIPJGMWCA-UHFFFAOYSA-N

Cite this record

CBID:255370 http://www.chembase.cn/molecule-255370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminophenyl)-4-methylbenzamide
IUPAC Traditional name
N-(2-aminophenyl)-4-methylbenzamide
Synonyms
N-(2-aminophenyl)-4-methylbenzamide
CAS Number
71255-53-3
MDL Number
MFCD00447039
PubChem SID
164311280
PubChem CID
4224989

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-31746 external link Add to cart Please log in.
Data Source Data ID
PubChem 4224989 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.204907  H Acceptors
H Donor LogD (pH = 5.5) 2.7466865 
LogD (pH = 7.4) 2.7495825  Log P 2.7496262 
Molar Refractivity 71.3331 cm3 Polarizability 25.850157 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
154 - 156°C expand Show data source
Hydrophobicity(logP)
1.922 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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