1-(3-chlorophenyl)cyclopropane-1-carboxamide

• ChemBase ID: 239495
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: C1(CC1)(C(=O)N)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C1(CC1)C(=O)N
• InChI: InChI=1S/C10H10ClNO/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5H2,(H2,12,13)
• InChIKey: RWKWCWCDZUWUGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(3-chlorophenyl)cyclopropane-1-carboxamide
• Synonyms: 1-(3-chlorophenyl)cyclopropane-1-carboxamide

Database IDs

• MDL Number: MFCD11818189
• PubChem SID: 164295405
• PubChem CID: 17897827

CALCULATED PROPERTIES

• Acid pKa: 15.046966
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0433707
• LogD (pH = 7.4): 2.043371
• Log P: 2.043371
• Molar Refractivity: 51.2659 cm^3
• Polarizability: 20.042444 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.511

Product Information

• Purity: 95%