Basic information
- CAS
3100-74-1- Standard SMILES
CCc1ccc(Cl)c(NC(=O)CCCN(CC)CC)c1- InChIKey
PQJHSQXMFUWXIM-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O
- Average molar mass
- 296.83 g/mol
- Monoisotopic mass
- 296.1655411
Names & identifiers
- Preferred name
- Butyranilide, 2'-chloro-4-(diethylamino)-5'-ethyl-
- IUPAC
- N-(2-chloro-5-ethylphenyl)-4-(diethylamino)butanamide
Names & synonyms
BRN 2698826BUTYRANILIDE, 2'-CHLORO-4-(DIETHYLAMINO)-5'-ETHYL-3100-74-12'-Chloro-4-(diethylamino)-5'-ethylbutyranilidegamma-Diaethylamino-3-aethyl-6-chlor-butyranilid [German]DTXSID10184981gamma-Diaethylamino-3-aethyl-6-chlor-butyranilidRefChem:331211DTXCID50107472N-(2-chloro-5-ethylphenyl)-4-(diethylamino)butanamide
Database identifiers
- CAS
3100-74-1- PubChem CID
- 18359
- DTXSID
DTXSID10184981
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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