6580 1 2 3 4 5 6 7 8 9 17 8 7 6 6 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 8 9 5 6 7 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 5.135 3.403 2.5369 4.269 3.403 4.6675 3.8705 2 2.5369 -0.06 -1.06 0.44 0.44 -0.06 0.9149 0.9149 0.13 1.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 44.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180422000040000000000000000000000000000000000000000000000000000000000001E021000000000038180400000004000000800011010000000000000000000000000004000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloroacetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloroacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloroacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloroacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloranylethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloroacetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VXIVSQZSERGHQP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 92.9981414 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H4ClNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 93.51 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)N)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)N)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 92.9981414 5 0 0 0 0 0 0 0 1 -1