Home > Compound List > Compound details
613656-89-6 molecular structure
click picture or here to close

N-(3-aminophenyl)-4-methylbenzamide

ChemBase ID: 22623
Molecular Formular: C14H14N2O
Molecular Mass: 226.27376
Monoisotopic Mass: 226.11061308
SMILES and InChIs

SMILES:
C(=O)(Nc1cc(N)ccc1)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)C(=O)Nc1cccc(c1)N
InChI:
InChI=1S/C14H14N2O/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(15)9-13/h2-9H,15H2,1H3,(H,16,17)
InChIKey:
SEVIOCGFMOIHPH-UHFFFAOYSA-N

Cite this record

CBID:22623 http://www.chembase.cn/molecule-22623.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-aminophenyl)-4-methylbenzamide
IUPAC Traditional name
N-(3-aminophenyl)-4-methylbenzamide
Synonyms
N-(3-Aminophenyl)-4-methylbenzamide
CAS Number
613656-89-6
MDL Number
MFCD01360424
PubChem SID
160985930
PubChem CID
5230761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5230761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 2.7495027  Log P 2.7496262 
Molar Refractivity 71.3331 cm3 Polarizability 25.849543 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 13.074071 
H Acceptors H Donor
LogD (pH = 5.5) 2.73994 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle