Basic information
- CAS
56288-29-0- Standard SMILES
COc1ccc(NC(C)=O)cc1CN(CCCl)CCCl- InChIKey
MFPNFDGCKNZNOX-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-
- IUPAC
- N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]acetamide
- English name
- 3'-[[Bis(2-chloroethyl)amino]methyl]-4'-methoxyacetanilide
- Molecular formula
- C14H20Cl2N2O2
- Molecular weight
- 319.23
Names & synonyms
56288-29-0ACETANILIDE, 3'-((BIS(2-CHLOROETHYL)AMINO)METHYL)-4'-METHOXY-3-Bis(2-choroethyl)aminomethyl-4-methoxyacetamidobenzene3-Bis(2-chloroethyl)aminomethyl-4-methoxy-acetamidobenzene3'-((Bis(2-chloroethyl)amino)methyl)-4'-methoxyacetanilideAcetamide, N-(3-((bis(2-chloroethyl)amino)methyl)-4-methoxyphenyl)-DTXSID10204830N-(3-{[BIS(2-CHLOROETHYL)AMINO]METHYL}-4-METHOXYPHENYL)ACETAMIDEDB-3244293'-[[BIS(2-CHLOROETHYL)AMINO]METHYL ]-4'-METHOXYACETANILIDE3'-[[Bis(2-chloroethyl)amino]methyl]-4'-methoxyacetanilideAcetamide, N-[3-[[bis(2-chloroethyl)amino]methyl]-4-methoxyphenyl]-
Database identifiers
- CAS
56288-29-0- PubChem CID
- 41834
- DTXSID
DTXSID10204830- Nikkaji
- J73.551E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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