3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane

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Basic information

CAS: 57269-18-8
Standard SMILES: CN1C2CCC1CN(C(=O)c1ccc(Cl)cc1)C2
InChIKey: IKHUSJCGKQISRF-UHFFFAOYSA-N
Molecular formula: C14H17ClN2O
Average molar mass: 264.75 g/mol
Monoisotopic mass: 264.1029409

Names & identifiers

Preferred name: 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
IUPAC: (4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
English name: 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C14H17ClN2O
Molecular weight: 264.75

Names & synonyms

57269-18-83-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo[3.2.1]octaneBRN 0540818(4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(p-CHLOROBENZOYL)-8-METHYL-DTXSID00972758(4-Chlorophenyl)(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanoneMethanone, (4-chlorophenyl)(8-methyl-3,8-diazabicyclo[3.2.1]oct-3-yl)-

Database identifiers

CAS: 57269-18-8
PubChem CID: 42246
DTXSID: DTXSID00972758
Nikkaji: J68.411B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 314

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