Basic information
- CAS
478078-77-2- Standard SMILES
O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2ccco2)c1- InChIKey
NNYZQMQORPDXSM-UHFFFAOYSA-N- Molecular formula
- C17H13FN2O3
- Average molar mass
- 312.29 g/mol
Names & identifiers
- Preferred name
- 4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
- IUPAC
- 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
- English name
- 4-(4-Fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
- Molecular formula
- C17H13FN2O3
- Molecular weight
- 312.3
Names & synonyms
478078-77-24-(4-fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide4-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]-1H-pyrrole-2-carboxamide4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamideMFCD02570948SMR000179915Bionet2_000702Oprea1_623853MLS000546517CHEMBL1332559HMS1365P20HMS2293L18
Show more names
1H-Pyrrole-2-carboxamide, 4-(4-fluorobenzoyl)-N-(2-furanylmethyl)-
AKOS0051014937R-0326
Database identifiers
- CAS
478078-77-2- ChEMBL
CHEMBL1332559
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 561.8 · 561.8±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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