70299147 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 9 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 6 6 6 7 7 8 9 9 10 10 10 11 12 13 14 14 14 11 13 8 13 25 5 6 15 16 7 9 10 17 18 8 19 11 12 20 21 22 23 12 24 14 26 27 28 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 2 5.4641 3.732 5.4641 4.5981 5.4641 4.5981 3.732 3.732 6.3301 2.866 2.866 4.5981 4.5981 6.0747 5.6762 4.8535 5.252 5.135 3.732 6.0201 6.8671 6.6401 2.3291 3.1951 5.2181 4.5981 3.9781 0.5 1.5 1.5 -1.5 -1 -2.5 0 0.5 -1.5 -3 0 -1 2 3 -1.6077 -0.9174 -2.3923 -3.0826 0.31 -2.12 -3.5369 -3.31 -2.4631 -1.31 1.81 3 3.62 3 8 8 8 8 8 8 5 5 7 8 9 11 7 9 8 11 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 196 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0722100000000000000000000000000000000000000300000000000000000010000001F00100000000C0881980832C082C00000880225525000820000210200088800006488082022C09191842008609400C8C8071080800E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-propyl-phenyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-propylphenyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-fluoro-5-propylphenyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-propylphenyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoranyl-5-propyl-phenyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-propyl-phenyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H14FNO/c1-3-4-9-5-6-10(12)11(7-9)13-8(2)14/h5-7H,3-4H2,1-2H3,(H,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WWOXZHIELLUXMN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.105942232 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H14FNO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=CC(=C(C=C1)F)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=CC(=C(C=C1)F)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.105942232 14 0 0 0 0 0 0 0 1 -1