Home > Compound List > Compound details
103038-67-1 molecular structure
click picture or here to close

3-chloro-N-[(4-chlorophenyl)methyl]propanamide

ChemBase ID: 311933
Molecular Formular: C10H11Cl2NO
Molecular Mass: 232.10644
Monoisotopic Mass: 231.02176934
SMILES and InChIs

SMILES:
C(=O)(NCc1ccc(Cl)cc1)CCCl
Canonical SMILES:
ClCCC(=O)NCc1ccc(cc1)Cl
InChI:
InChI=1S/C10H11Cl2NO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
InChIKey:
CJINUSIFYWTQPJ-UHFFFAOYSA-N

Cite this record

CBID:311933 http://www.chembase.cn/molecule-311933.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N-[(4-chlorophenyl)methyl]propanamide
IUPAC Traditional name
3-chloro-N-[(4-chlorophenyl)methyl]propanamide
Synonyms
3-chloro-N-(4-chlorobenzyl)propanamide
CAS Number
103038-67-1
MDL Number
MFCD03378085

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 7290491 external link Add to cart
Data Source Data ID Price
ChemBridge
7290491 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.296262  LogD (pH = 7.4) 2.2962613 
Log P 2.296262  Molar Refractivity 58.2326 cm3
Polarizability 22.62266 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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