4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
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Basic information
- CAS
24946-86-9- Standard SMILES
O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1- InChIKey
BKIHJPWFXBXXSR-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0872908
Names & identifiers
- Preferred name
- 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
- IUPAC
- 4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
- English name
- (4-CHLOROPHENYL)-N-(2-INDOL-3-YLETHYL)FORMAMIDE
- Molecular formula
- C17H15ClN2O
- Molecular weight
- 298.77
Names & synonyms
24946-86-94-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamideMFCD00245068n-(2-(1h-Indol-3-yl)ethyl)-4-chlorobenzamide(4-Chlorophenyl)-N-(2-indol-3-ylethyl)formamideCHEMBL1586605(4-chlorophenyl)-N-(2-indol-3-ylethyl)carboxamide4-Chloro-N-[2-(1H-indol-3-yl)-ethyl]-benzamideOprea1_395525Oprea1_599863CBDivE_009242MLS001209074
Show more names
Benzamide, 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-
DTXSID601324025HMS2827O17BDBM50627684SBB062412STK046371AKOS000623737EBC-605101MS-6883
Database identifiers
- CAS
24946-86-9- PubChem CID
- 744384
- DTXSID
DTXSID601324025- ChEMBL
CHEMBL1586605
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 150.6 · 150.6-152.0 °C
- Boiling point
- 557.2 · 557.2±40.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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