propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate

C14H16FNO3 — CID 2282505

IUPACpropan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate
SMILESCC(=O)N/C(=C\c1ccc(F)cc1)C(=O)OC(C)C
InChIInChI=1S/C14H16FNO3/c1-9(2)19-14(18)13(16-10(3)17)8-11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,17)/b13-8-
InChIKeyCFUROSPYOCWSJU-JYRVWZFOSA-N
MW265.28 g/mol
LogP2.25
Rot. Bonds4

About propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate

propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2282505) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2282505
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namepropan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate
SMILESCC(=O)N/C(=C\c1ccc(F)cc1)C(=O)OC(C)C
InChIInChI=1S/C14H16FNO3/c1-9(2)19-14(18)13(16-10(3)17)8-11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,17)/b13-8-
InChIKeyCFUROSPYOCWSJU-JYRVWZFOSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate (CID 2282505) is propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate is CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is CFUROSPYOCWSJU-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(2)19-14(18)13(16-10(3)17)8-11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,17)/b13-8-.
What are the key properties of propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 265.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2282505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).