(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one

C19H11ClFNO4 — CID 5350600

IUPAC(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H11ClFNO4/c20-17-11-14(22(24)25)5-8-16(17)19-10-7-15(26-19)6-9-18(23)12-1-3-13(21)4-2-12/h1-11H/b9-6+
InChIKeyJYFMEXSLBRCOFZ-RMKNXTFCSA-N
MW371.75 g/mol
LogP5.54
Rot. Bonds5

About (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one

(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 5350600) has the molecular formula C19H11ClFNO4 and a molecular weight of 371.75 g/mol. Its IUPAC name is (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID5350600
Molecular FormulaC19H11ClFNO4
Molecular Weight371.75 g/mol
Exact Mass371.04
IUPAC Name(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H11ClFNO4/c20-17-11-14(22(24)25)5-8-16(17)19-10-7-15(26-19)6-9-18(23)12-1-3-13(21)4-2-12/h1-11H/b9-6+
InChIKeyJYFMEXSLBRCOFZ-RMKNXTFCSA-N
XLogP5.54
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.75
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one (CID 5350600) is (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is JYFMEXSLBRCOFZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H11ClFNO4/c20-17-11-14(22(24)25)5-8-16(17)19-10-7-15(26-19)6-9-18(23)12-1-3-13(21)4-2-12/h1-11H/b9-6+.
What are the key properties of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 371.75 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5350600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).