2-amino-5-chloro-N-cyclopropylbenzamide

• ChemBase ID: 264440
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: c1(C(=O)NC2CC2)c(ccc(c1)Cl)N
• Canonical SMILES: O=C(c1cc(Cl)ccc1N)NC1CC1
• InChI: InChI=1S/C10H11ClN2O/c11-6-1-4-9(12)8(5-6)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
• InChIKey: BRIJIUCAAYPGRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloro-N-cyclopropylbenzamide
• IUPAC Traditional name: 2-amino-5-chloro-N-cyclopropylbenzamide
• Synonyms: 2-amino-5-chloro-N-cyclopropylbenzamide

Database IDs

• MDL Number: MFCD09043109
• PubChem SID: 164320350
• PubChem CID: 16770819

CALCULATED PROPERTIES

• Acid pKa: 15.03637
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9380872
• LogD (pH = 7.4): 1.9382434
• Log P: 1.9382454
• Molar Refractivity: 56.7495 cm^3
• Polarizability: 20.982038 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 2.009

Product Information

• Purity: 95%