Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-
Basic information
- CAS
24813-04-5- Standard SMILES
Cc1ccc(NC(=O)c2cccc(N(CCCl)CCCl)c2)c([N+](=O)[O-])c1- InChIKey
XBDVFRFVNXUABZ-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2N3O3
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 395.0803469
Names & identifiers
- Preferred name
- Benzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-
- IUPAC
- 3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzamide
- English name
- 3-[Bis(2-chloroethyl)amino]-4'-methyl-2'-nitrobenzanilide
- Molecular formula
- C18H19Cl2N3O3
- Molecular weight
- 396.27
Names & synonyms
24813-04-53-(Bis(2-chloroethyl)amino)-4'-methyl-2'-nitrobenzanilideBenzanilide, 3-(bis(2-chloroethyl)amino)-4'-methyl-2'-nitro-RefChem:322710DTXSID209477263-[Bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzene-1-carboximidic acid3-[Bis(2-chloroethyl)amino]-4'-methyl-2'-nitrobenzanilide3-[Bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)benzamideBenzamide, 3-[bis(2-chloroethyl)amino]-N-(4-methyl-2-nitrophenyl)-
Database identifiers
- CAS
24813-04-5- PubChem CID
- 212741
- DTXSID
DTXSID20947726- Nikkaji
- J149.202K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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