[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate

C19H20FNO4 — CID 7185613

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
SMILESO=C(COC(=O)CCCOc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c20-16-10-8-15(9-11-16)13-21-18(22)14-25-19(23)7-4-12-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)
InChIKeyCQNAWCAIEAZOHF-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.84
Rot. Bonds9

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate (PubChem CID 7185613) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
PubChem CID7185613
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
SMILESO=C(COC(=O)CCCOc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4/c20-16-10-8-15(9-11-16)13-21-18(22)14-25-19(23)7-4-12-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)
InChIKeyCQNAWCAIEAZOHF-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 7880265
[2-(benzylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212135
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529201
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate (CID 7185613) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate is O=C(COC(=O)CCCOc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate?
The InChIKey is CQNAWCAIEAZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-16-10-8-15(9-11-16)13-21-18(22)14-25-19(23)7-4-12-24-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate has a molecular weight of 345.37 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate is sourced from PubChem (CID 7185613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).