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4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

CAS: 915087-26-2

Formula: C13H14FN3O

SMILES: CNC(=O)C1=CC=C(NC2(CCC2)C#N)C=C1F

IUPAC: 4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

InChI: InChI=1S/C13H14FN3O/c1-16-12(18)10-4-3-9(7-11(10)14)17-13(8-15)5-2-6-13/h3-4,7,17H,2,5-6H2,1H3,(H,16,18)

Composition: C (63.15%), H (5.71%), F (7.68%), N (16.99%), O (6.47%)

Molar Mass: 247.273

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.112090246
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AAIGLIMPDRXLFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.36
Topological Polar Surface Area 64.92
Polarizability 24.18
Ring Count 2
Rotatable Bond Count 3

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