2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
Basic information
- CAS
640242-56-4- Standard SMILES
CN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1- InChIKey
ZNEBYBSYGGCXTQ-UHFFFAOYSA-N- Molecular formula
- C19H22ClN3O2
- Average molar mass
- 359.8 g/mol
Names & identifiers
- Preferred name
- 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
- IUPAC
- 2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
- English name
- 2-(2-Chlorophenoxy)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
- Molecular formula
- C19H22ClN3O2
- Molecular weight
- 359.85
Names & synonyms
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamideMLS000099609SMR0000743782-(2-chlorophenoxy)-N-[4-(4-methyl-1-piperazinyl)phenyl]acetamideMLS002545868CHEMBL1423062BDBM49137cid_1086059HMS2275P13STK254752AKOS000470491ST50024928
Show more names
TOSLAB 8332642-(2-Chlorophenoxy)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamideAcetamide, 2-(2-chlorophenoxy)-N-[4-(4-methyl-1-piperazinyl)phenyl]-
VU0048535-1Z520524522-(2-chlorophenoxy)-N-[4-(4-methylpiperazino)phenyl]acetamide2-(2-chlorophenoxy)-N-[4-(4-methylpiperazinyl)phenyl]acetamide2-(2-chloranylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanamide640242-56-4
Database identifiers
- CAS
640242-56-4- ChEMBL
CHEMBL1423062
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 576.4 · 576.4±50.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 12.95 · 12.95±0.70(Predicted)
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Compound notes
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