ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate

C18H16FNO3 — CID 2282564

IUPACethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)16(12-13-8-10-15(19)11-9-13)20-17(21)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,21)/b16-12-
InChIKeyYKTYQZDIXOERKY-VBKFSLOCSA-N
MW313.33 g/mol
LogP3.16
Rot. Bonds5

About ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate

ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2282564) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2282564
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H16FNO3/c1-2-23-18(22)16(12-13-8-10-15(19)11-9-13)20-17(21)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,21)/b16-12-
InChIKeyYKTYQZDIXOERKY-VBKFSLOCSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate 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 ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate (CID 2282564) is ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate is CCOC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is YKTYQZDIXOERKY-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-23-18(22)16(12-13-8-10-15(19)11-9-13)20-17(21)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,20,21)/b16-12-.
What are the key properties of ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate?
ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 313.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2282564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).