4-chloro-3-(morpholine-4-carbonyl)aniline

• ChemBase ID: 121198
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: c1(C(=O)N2CCOCC2)c(ccc(c1)N)Cl
• Canonical SMILES: O=C(c1cc(N)ccc1Cl)N1CCOCC1
• InChI: InChI=1S/C11H13ClN2O2/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2
• InChIKey: IJBAMIDPBSIHMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 4-chloro-3-(morpholine-4-carbonyl)aniline
• Synonyms: (5-amino-2-chlorophenyl)(morpholino)methanone

Database IDs

• PubChem SID: 162215551
• PubChem CID: 16772664

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8272362
• LogD (pH = 7.4): 0.8278487
• Log P: 0.82785654
• Molar Refractivity: 63.5095 cm^3
• Polarizability: 23.55909 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true