(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide

C23H19F2NO2 — CID 2309249

IUPAC(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H19F2NO2/c24-23(25)28-20-13-11-17(12-14-20)15-21(19-9-5-2-6-10-19)22(27)26-16-18-7-3-1-4-8-18/h1-15,23H,16H2,(H,26,27)/b21-15+
InChIKeyNWCXZKUNPCTRTH-RCCKNPSSSA-N
MW379.41 g/mol
LogP5.14
Rot. Bonds7

About (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide

(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide (PubChem CID 2309249) has the molecular formula C23H19F2NO2 and a molecular weight of 379.41 g/mol. Its IUPAC name is (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide
PubChem CID2309249
Molecular FormulaC23H19F2NO2
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide
SMILESO=C(NCc1ccccc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C23H19F2NO2/c24-23(25)28-20-13-11-17(12-14-20)15-21(19-9-5-2-6-10-19)22(27)26-16-18-7-3-1-4-8-18/h1-15,23H,16H2,(H,26,27)/b21-15+
InChIKeyNWCXZKUNPCTRTH-RCCKNPSSSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide (CID 2309249) is (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide is O=C(NCc1ccccc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide?
The InChIKey is NWCXZKUNPCTRTH-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H19F2NO2/c24-23(25)28-20-13-11-17(12-14-20)15-21(19-9-5-2-6-10-19)22(27)26-16-18-7-3-1-4-8-18/h1-15,23H,16H2,(H,26,27)/b21-15+.
What are the key properties of (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide?
(E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide has a molecular weight of 379.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 2309249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).