N-[4-(benzyloxy)phenyl]-4-chloro-2-nitrobenzamide
Basic information
- CAS
329941-22-2- Standard SMILES
O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
MDZDNFHNCUIQHW-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2O4
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.0720347
Names & identifiers
- Preferred name
- N-[4-(benzyloxy)phenyl]-4-chloro-2-nitrobenzamide
- IUPAC
- 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
- English name
- N-(4-(Benzyloxy)phenyl)-4-chloro-2-nitrobenzamide
- Molecular formula
- C20H15ClN2O4
- Molecular weight
- 382.8
Names & synonyms
ZINC834100N-[4-(benzyloxy)phenyl]-4-chloro-2-nitrobenzamideN-(4-(BENZYLOXY)PHENYL)-4-CHLORO-2-NITROBENZAMIDEZINC00834100Oprea1_016787Oprea1_848590MFCD01215340STK000280AKOS003266832ST010876ZINC000000834100N(4BENZYLOXYPHENYL)4CHLORO2NITROBENZAMIDE
Show more names
Benzamide, 4-chloro-2-nitro-N-[4-(phenylmethoxy)phenyl]-
4CHLORO2NITRON(4PHENYLMETHOXYPHENYL)BENZAMIDEN(4(BENZYLOXY)PHENYL)4CHLORO2NITROBENZAMIDEClc1ccc(c(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)OCc1ccccc1(4-chloro-2-nitrophenyl)-N-[4-(phenylmethoxy)phenyl]carboxamide(4CHLORO2NITROPHENYL)N(4(PHENYLMETHOXY)PHENYL)CARBOXAMIDEC1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
Database identifiers
- CAS
329941-22-2- PubChem CID
- 1105902
- EC Number
- 141-048-3
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Boiling point
- 497.042 · 497.042±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.485 · 11.485±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…