3-amino-4-chloro-N,N-diethylbenzamide

• ChemBase ID: 307848
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: C(=O)(c1cc(c(cc1)Cl)N)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)N)Cl)CC
• InChI: InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)8-5-6-9(12)10(13)7-8/h5-7H,3-4,13H2,1-2H3
• InChIKey: UEVFJJAHTBFKAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-chloro-N,N-diethylbenzamide
• IUPAC Traditional name: 3-amino-4-chloro-N,N-diethylbenzamide
• Synonyms: 3-amino-4-chloro-N,N-diethylbenzamide

Database IDs

• CAS Number: 905811-02-1
• MDL Number: MFCD08685814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7598724
• LogD (pH = 7.4): 1.7599716
• Log P: 1.7599729
• Molar Refractivity: 63.9322 cm^3
• Polarizability: 23.549805 Å^3
• Polar Surface Area: 46.33 Å^2