methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate

C17H14FNO3 — CID 2179674

IUPACmethyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO3/c1-22-17(21)15(11-13-9-5-6-10-14(13)18)19-16(20)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)/b15-11-
InChIKeyVRDFRSIXWYLYMS-PTNGSMBKSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds4

About methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate

methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 2179674) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
PubChem CID2179674
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1
InChIInChI=1S/C17H14FNO3/c1-22-17(21)15(11-13-9-5-6-10-14(13)18)19-16(20)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)/b15-11-
InChIKeyVRDFRSIXWYLYMS-PTNGSMBKSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-benzamido-3-(2-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 methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate (CID 2179674) is methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate is COC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1.
What is the InChIKey of methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is VRDFRSIXWYLYMS-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-22-17(21)15(11-13-9-5-6-10-14(13)18)19-16(20)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20)/b15-11-.
What are the key properties of methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate?
methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 299.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2179674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).