Basic information
- Standard SMILES
CN1CCCC1CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1- InChIKey
IZCCLPSAATXJEZ-UHFFFAOYSA-N- Molecular formula
- C19H21N3O4
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-(N-((1-methylpyrrolidinyl)methyl)carbamoyl)phenoxy)-1-nitrobenzene
- IUPAC
- N-[(1-methylpyrrolidin-2-yl)methyl]-3-(4-nitrophenoxy)benzamide
Names & synonyms
SCHEMBL620731IZCCLPSAATXJEZ-UHFFFAOYSA-NDB-198999N-[(1-methyl-2-pyrrolidinyl)methyl]-3-(4-nitrophenoxy)benzamide4-(3-(N-((1-methylpyrrolidinyl) methyl)carbamoyl)phenoxy)-1-nitrobenzene4-(3-(N-((1-methylpyrrolidinyl)methyl)carbamoyl)phenoxy) -1-nitrobenzene4-(3-(N-((1-methylpyrrolidinyl)methyl)carbamoyl)phenoxy)-1 -nitrobenzene4-(3-(N-((1-methylpyrrolidinyl)methyl)carbamoyl)phenoxy)-1-nitrobenzene4-(3-(N-((l-methylpyrrolidinyl)methyl)carbamoyl)phenoxy)-1-nitrobenzene604813-14-1
Database identifiers
- PubChem CID
- 23614564
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Related reactions
5 records
Compound notes
Loading…