indolyl-3-acetic acid N-methyl-1-phenyl-2,3-dimethyl-
Basic information
- CAS
53995-77-0- Standard SMILES
Cc1c(N(C)C(=O)Cc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C- InChIKey
HAJHXFCQTRJUBG-UHFFFAOYSA-N- Molecular formula
- C22H22N4O2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.17427596
Overview
structure
Names & identifiers
- Preferred name
- indolyl-3-acetic acid N-methyl-1-phenyl-2,3-dimethyl-
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1H-indol-3-yl)-N-methylacetamide
- English name
- N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(1H-indol-3-yl)-N-methyl-acetamide
- Molecular formula
- C22H22N4O2
- Molecular weight
- 374.44
Names & synonyms
53995-77-01H-Indole-3-acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methyl-Indolyl-3-acetic acid N-methyl-1-phenyl-2,3-dimethyl-RefChem:148220N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1H-indol-3-yl)-N-methylacetamideDTXSID40968817DB-326662N-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)-2-(1H-INDOL-3-YL)-N-METHYL-ACETAMIDEN-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)-N-methylacetamideN-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-indol-3-yl-N-methyl-acetamide
Database identifiers
- CAS
53995-77-0- PubChem CID
- 191302
- DTXSID
DTXSID40968817
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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