1-amino-N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide

• ChemBase ID: 435094
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: C1(C(=O)N(Cc2c(Cl)cccc2)CC=C)(CC1)N
• Canonical SMILES: C=CCN(C(=O)C1(N)CC1)Cc1ccccc1Cl
• InChI: InChI=1S/C14H17ClN2O/c1-2-9-17(13(18)14(16)7-8-14)10-11-5-3-4-6-12(11)15/h2-6H,1,7-10,16H2
• InChIKey: IGWRCKWMTNVJNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-[(2-chlorophenyl)methyl]-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide
• Synonyms: N-allyl-1-amino-N-(2-chlorobenzyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3335968
• LogD (pH = 7.4): 1.3266312
• Log P: 2.2464132
• Molar Refractivity: 73.4501 cm^3
• Polarizability: 28.686432 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.27
• LOG S: -3.07
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5