N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide

HCID 319035

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Basic information

CAS: 64977-03-3
Standard SMILES: O=C(CCl)Nc1ccc(N(CCCl)CCCl)cc1
InChIKey: ADSXPFDEODWMAJ-UHFFFAOYSA-N
Molecular formula: C12H15Cl3N2O
Average molar mass: 309.6 g/mol
Monoisotopic mass: 308.024996

Names & identifiers

Preferred name: N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloroacetamide

Names & synonyms

64977-03-3NSC260490CHEMBL3247488DTXSID40312674N-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-CHLOROACETAMIDENSC-260490Acetamide, 2-chloro-N-[4-[bis(2-chloroethyl)amino]phenyl]-

Database identifiers

CAS: 64977-03-3
PubChem CID: 319035
DTXSID: DTXSID40312674
ChEMBL: CHEMBL3247488

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 239

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