1-[[1-[(3-Fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
Basic information
- CAS
5939-75-3- Standard SMILES
C=CCN(Cc1cccn1Cc1cccc(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
KFFPYUDHMPAGCF-UHFFFAOYSA-N- Molecular formula
- C23H21F4N3O
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.16207495
Names & identifiers
- Preferred name
- 1-[[1-[(3-Fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
Names & synonyms
5939-75-31-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]ureaDTXSID60412443N-({1-[(3-Fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(prop-2-en-1-yl)-N'-[4-(trifluoromethyl)phenyl]urea
Database identifiers
- CAS
5939-75-3- PubChem CID
- 5239558
- DTXSID
DTXSID60412443
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
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Compound notes
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