[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate

C17H14FNO2 — CID 2165062

IUPAC[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate
SMILESC=C(NOC(=O)/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO2/c1-13(15-8-10-16(18)11-9-15)19-21-17(20)12-7-14-5-3-2-4-6-14/h2-12,19H,1H2/b12-7+
InChIKeyZECLAPDIHGNULJ-KPKJPENVSA-N
MW283.30 g/mol
LogP3.56
Rot. Bonds5

About [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate

[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate (PubChem CID 2165062) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate
PubChem CID2165062
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate
SMILESC=C(NOC(=O)/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO2/c1-13(15-8-10-16(18)11-9-15)19-21-17(20)12-7-14-5-3-2-4-6-14/h2-12,19H,1H2/b12-7+
InChIKeyZECLAPDIHGNULJ-KPKJPENVSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate?
The IUPAC name of [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate (CID 2165062) is [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate is C=C(NOC(=O)/C=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate?
The InChIKey is ZECLAPDIHGNULJ-KPKJPENVSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-13(15-8-10-16(18)11-9-15)19-21-17(20)12-7-14-5-3-2-4-6-14/h2-12,19H,1H2/b12-7+.
What are the key properties of [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate?
[1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate has a molecular weight of 283.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)ethenylamino] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 2165062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).