Home > Compound List > Compound details
75541-83-2 molecular structure
click picture or here to close

methyl 2-(4-fluorobenzamido)benzoate

ChemBase ID: 154247
Molecular Formular: C15H12FNO3
Molecular Mass: 273.2590832
Monoisotopic Mass: 273.08012147
SMILES and InChIs

SMILES:
COC(=O)c1ccccc1NC(=O)c1ccc(cc1)F
Canonical SMILES:
COC(=O)c1ccccc1NC(=O)c1ccc(cc1)F
InChI:
InChI=1S/C15H12FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
InChIKey:
KIAPWMKFHIKQOZ-UHFFFAOYSA-N

Cite this record

CBID:154247 http://www.chembase.cn/molecule-154247.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(4-fluorobenzamido)benzoate
IUPAC Traditional name
methyl 2-(4-fluorobenzamido)benzoate
Synonyms
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
2-(4-Fluorobenzoylamino)methylbenzoate
Exo 1
CAS Number
75541-83-2
MDL Number
MFCD00028104
PubChem SID
162248386
24724477
PubChem CID
310557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
E8280 external link Add to cart Please log in.
Data Source Data ID
PubChem 310557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.711783  H Acceptors
H Donor LogD (pH = 5.5) 3.861307 
LogD (pH = 7.4) 3.8611083  Log P 3.8613095 
Molar Refractivity 73.8332 cm3 Polarizability 27.049322 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: soluble19 mg/mL expand Show data source
Apperance
solid expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C15H12NFO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E8280 external link
Biochem/physiol Actions
Reversible inhibitor of exocytosis; Golgi ARF 1 (ADP-Ribosylation Factor) GTPase activator.

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