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MFCD13562827 molecular structure
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2-amino-N-(4-fluorophenyl)-3-phenylpropanamide hydrochloride

ChemBase ID: 50013
Molecular Formular: C15H16ClFN2O
Molecular Mass: 294.7517432
Monoisotopic Mass: 294.09351904
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(F)cc1)C(Cc1ccccc1)N.Cl
Canonical SMILES:
O=C(C(Cc1ccccc1)N)Nc1ccc(cc1)F.Cl
InChI:
InChI=1S/C15H15FN2O.ClH/c16-12-6-8-13(9-7-12)18-15(19)14(17)10-11-4-2-1-3-5-11;/h1-9,14H,10,17H2,(H,18,19);1H
InChIKey:
BPRSUGMPAWFCES-UHFFFAOYSA-N

Cite this record

CBID:50013 http://www.chembase.cn/molecule-50013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(4-fluorophenyl)-3-phenylpropanamide hydrochloride
IUPAC Traditional name
2-amino-N-(4-fluorophenyl)-3-phenylpropanamide hydrochloride
Synonyms
2-Amino-N-(4-fluorophenyl)-3-phenylpropanamide hydrochloride
MDL Number
MFCD13562827
PubChem SID
162054776
PubChem CID
56832258

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56832258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.569758  H Acceptors
H Donor LogD (pH = 5.5) 0.26597592 
LogD (pH = 7.4) 1.9600493  Log P 2.654619 
Molar Refractivity 73.61 cm3 Polarizability 27.817593 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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

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PATENTS

PATENTS

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INTERNET

INTERNET

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