2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate

C19H18FNO4 — CID 2537158

IUPAC2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-14(22)21-18(13-15-5-3-2-4-6-15)19(23)25-12-11-24-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H,21,22)/b18-13+
InChIKeyHPIMPCPVIQBDEJ-QGOAFFKASA-N
MW343.35 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate

2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 2537158) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate
PubChem CID2537158
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-14(22)21-18(13-15-5-3-2-4-6-15)19(23)25-12-11-24-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H,21,22)/b18-13+
InChIKeyHPIMPCPVIQBDEJ-QGOAFFKASA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752
2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7554951
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284887
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610224
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
CID 17130603
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate (CID 2537158) is 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C/c1ccccc1)C(=O)OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is HPIMPCPVIQBDEJ-QGOAFFKASA-N. The full InChI is InChI=1S/C19H18FNO4/c1-14(22)21-18(13-15-5-3-2-4-6-15)19(23)25-12-11-24-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H,21,22)/b18-13+.
What are the key properties of 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate?
2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 343.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 2537158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).