Acetanilide, 4'-(bis(2-bromoethyl)amino)-

HCID 16282

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Basic information

CAS: 2045-17-2
Standard SMILES: CC(=O)Nc1ccc(N(CCBr)CCBr)cc1
InChIKey: HDIDAFMIJYIOOS-UHFFFAOYSA-N
Molecular formula: C12H16Br2N2O
Average molar mass: 364.08 g/mol
Monoisotopic mass: 361.96294

Names & identifiers

Preferred name: Acetanilide, 4'-(bis(2-bromoethyl)amino)-
IUPAC: N-[4-[bis(2-bromoethyl)amino]phenyl]acetamide
English name: 4'-[Bis(2-bromoethyl)amino]acetanilide
Molecular formula: C12H16Br2N2O
Molecular weight: 364.08

Names & synonyms

2045-17-2BRN 2811876ACETANILIDE, 4'-(BIS(2-BROMOETHYL)AMINO)-4-(Bis(2-bromoethyl)amino)acetanilideDTXSID30174400RefChem:315794DTXCID6096891N-{4-[bis(2-bromoethyl)amino]phenyl}acetamideCHEMBL32469304'-[Bis(2-bromoethyl)amino]acetanilideAcetamide, N-[4-[bis(2-bromoethyl)amino]phenyl]-

Database identifiers

CAS: 2045-17-2
PubChem CID: 16282
DTXSID: DTXSID30174400
ChEMBL: CHEMBL3246930
Nikkaji: J54.135D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 225

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