[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate

C15H15F2NO5 — CID 8673348

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H15F2NO5/c1-2-3-4-13(20)22-9-12(19)18-14(21)10-5-7-11(8-6-10)23-15(16)17/h3-8,15H,2,9H2,1H3,(H,18,19,21)/b4-3+
InChIKeyOILPEEYZBDVMAQ-ONEGZZNKSA-N
MW327.28 g/mol
LogP2.05
Rot. Bonds7

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate (PubChem CID 8673348) has the molecular formula C15H15F2NO5 and a molecular weight of 327.28 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
PubChem CID8673348
Molecular FormulaC15H15F2NO5
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H15F2NO5/c1-2-3-4-13(20)22-9-12(19)18-14(21)10-5-7-11(8-6-10)23-15(16)17/h3-8,15H,2,9H2,1H3,(H,18,19,21)/b4-3+
InChIKeyOILPEEYZBDVMAQ-ONEGZZNKSA-N
XLogP2.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673223
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790075
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704846
[2-(methylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 6212532
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673185
4-O-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015453
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 42970777
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321965

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate (CID 8673348) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate is CC/C=C/C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate?
The InChIKey is OILPEEYZBDVMAQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H15F2NO5/c1-2-3-4-13(20)22-9-12(19)18-14(21)10-5-7-11(8-6-10)23-15(16)17/h3-8,15H,2,9H2,1H3,(H,18,19,21)/b4-3+.
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate has a molecular weight of 327.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] (E)-pent-2-enoate is sourced from PubChem (CID 8673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).