N-[(3,4-dichlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide

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Basic information

CAS: 477871-25-3
Standard SMILES: O=C(C=Cc1ccc(OCCCF)cc1)NCc1ccc(Cl)c(Cl)c1
InChIKey: WDNKTQFPWGJRGF-UHFFFAOYSA-N
Molecular formula: C19H18Cl2FNO2
Average molar mass: 382.3 g/mol
Monoisotopic mass: 381.0698624

Names & identifiers

Preferred name: N-[(3,4-dichlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide
IUPAC: N-[(3,4-dichlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamide

Names & synonyms

N-[(3,4-dichlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-enamideCDS1_001510Bionet1_004054DivK1c_002550DTXSID101146301AKOS030244098477871-25-3N-[(3,4-Dichlorophenyl)methyl]-3-[4-(3-fluoropropoxy)phenyl]-2-propenamide

Database identifiers

CAS: 477871-25-3
PubChem CID: 5129558
DTXSID: DTXSID101146301

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 428

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