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Basic information
- Standard SMILES
Cc1cc(C(=O)NCc2ccc(C(=N)N)cc2)c(C)n1-c1ccc(F)cc1- InChIKey
XVBUCOBKRAKWBF-UHFFFAOYSA-N- Molecular formula
- C21H21FN4O
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.16993947
Names & identifiers
- Preferred name
- N-[(4-carbamimidoylphenyl)methyl]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide
- IUPAC
- N-[(4-carbamimidoylphenyl)methyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
Names & synonyms
SCHEMBL1983686XVBUCOBKRAKWBF-UHFFFAOYSA-NN-[(4-carbamimidoylphenyl)methyl]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide
Database identifiers
- PubChem CID
- 53258557
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
6 records
Compound notes
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