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Chloroacetamide

PubChem CID: 6580

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Compound Synonyms 2-Chloroacetamide, Chloroacetamide, 79-07-2, Acetamide, 2-chloro-, CHLORACETAMIDE, Microcide, 2-Chloroethanamide, Mergal AF, Chloracetamid, 2-Chloracetamide, 2-Chloro-acetamide, alpha-Chloroacetamide, USAF DO-29, .alpha.-Chloroacetamide, HSDB 7449, Chloroacetamide-d4, EINECS 201-174-2, MFCD00008027, NSC 54286, BRN 0878191, DTXSID9041570, UNII-2R97846T1L, .alpha.-Chloracetamide, AI3-60133, NSC-54286, 2R97846T1L, Acetamide, .alpha.-chloro-, CHLOROACETAMIDE [MI], CHLOROACETAMIDE [HSDB], CHEMBL346368, CHLOROACETAMIDE [MART.], ACETIC ACID,CHLORO,AMIDE, DTXCID7021570, EC 201-174-2, 4-02-00-00490 (Beilstein Handbook Reference), WLN: ZV1G, alpha-Chloracetamide, CHLOROACETAMIDE (MART.), Chloracetamid [German], 2Chloracetamide, 2chloroacetamide, a-chloroacetamide, 2Chloroethanamide, Mergal-AF, monochloroacetamide, 2--Chloroacetamide, ClCH2CONH2, Acetamide, alpha-chloro-, 2-chloroacetic acid amide, 2-Chloroacetamide, >=98%, CHLOROACETAMIDE [INCI], NSC8408, NSC-8408, NSC54286, STR00268, Tox21_304037, BDBM50226182, STK298897, AKOS000104694, CS-W011345, FC00930, HY-W010629, CAS-79-07-2, 2-Chloroacetamide, >=98.0% (HPLC), NCGC00357244-01, PD194639, DB-230097, C2536, NS00007551, EN300-18249, Q209345, F2190-0195
Topological Polar Surface Area 43.1
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 5.0
Isotope Atom Count 0.0
Molecular Complexity 44.9
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P00328, n.a., P05412
Iupac Name 2-chloroacetamide
Prediction Hob 1.0
Xlogp -0.5
Molecular Formula C2H4ClNO
Prediction Swissadme 0.0
Inchi Key VXIVSQZSERGHQP-UHFFFAOYSA-N
Fcsp3 0.5
Logs 0.165
Rotatable Bond Count 1.0
Logd -0.66
Compound Name Chloroacetamide
Prediction Hob Swissadme 0.0
Exact Mass 92.9981
Formal Charge 0.0
Monoisotopic Mass 92.9981
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 93.51
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -0.6687806000000001
Inchi InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
Smiles C(C(=O)N)Cl
Nring 0.0
Defined Bond Stereocenter Count 0.0