(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide

C15H11ClFNO — CID 879838

IUPAC(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C15H11ClFNO/c16-14-7-2-1-4-11(14)8-9-15(19)18-13-6-3-5-12(17)10-13/h1-10H,(H,18,19)/b9-8+
InChIKeyLZTBOYZODANVBL-CMDGGOBGSA-N
MW275.71 g/mol
LogP4.13
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide (PubChem CID 879838) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
PubChem CID879838
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C15H11ClFNO/c16-14-7-2-1-4-11(14)8-9-15(19)18-13-6-3-5-12(17)10-13/h1-10H,(H,18,19)/b9-8+
InChIKeyLZTBOYZODANVBL-CMDGGOBGSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide (CID 879838) is (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1cccc(F)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
The InChIKey is LZTBOYZODANVBL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-14-7-2-1-4-11(14)8-9-15(19)18-13-6-3-5-12(17)10-13/h1-10H,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide has a molecular weight of 275.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).