methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate

C14H14FNO3 — CID 102173134

IUPACmethyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate
SMILESC=C(F)CN(C(=C)C(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H14FNO3/c1-10(15)9-16(11(2)14(18)19-3)13(17)12-7-5-4-6-8-12/h4-8H,1-2,9H2,3H3
InChIKeyPFYFLEDBDPWNTJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.30
Rot. Bonds5

About methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate

methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate (PubChem CID 102173134) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate
PubChem CID102173134
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate
SMILESC=C(F)CN(C(=C)C(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H14FNO3/c1-10(15)9-16(11(2)14(18)19-3)13(17)12-7-5-4-6-8-12/h4-8H,1-2,9H2,3H3
InChIKeyPFYFLEDBDPWNTJ-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate (CID 102173134) is methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate is C=C(F)CN(C(=C)C(=O)OC)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate?
The InChIKey is PFYFLEDBDPWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-10(15)9-16(11(2)14(18)19-3)13(17)12-7-5-4-6-8-12/h4-8H,1-2,9H2,3H3.
What are the key properties of methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate?
methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate has a molecular weight of 263.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzoyl(2-fluoroprop-2-enyl)amino]prop-2-enoate is sourced from PubChem (CID 102173134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).