[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate

C18H17ClFNO4 — CID 8642931

IUPAC[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c19-14-4-6-16(7-5-14)24-9-8-21-17(22)12-25-18(23)11-13-2-1-3-15(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyBWYBYTKGHKOYAJ-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.76
Rot. Bonds8

About [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate

[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate (PubChem CID 8642931) has the molecular formula C18H17ClFNO4 and a molecular weight of 365.79 g/mol. Its IUPAC name is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
PubChem CID8642931
Molecular FormulaC18H17ClFNO4
Molecular Weight365.79 g/mol
Exact Mass365.08
IUPAC Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFNO4/c19-14-4-6-16(7-5-14)24-9-8-21-17(22)12-25-18(23)11-13-2-1-3-15(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyBWYBYTKGHKOYAJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.76
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

N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate (CID 8642931) is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate is O=C(COC(=O)Cc1cccc(F)c1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is BWYBYTKGHKOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4/c19-14-4-6-16(7-5-14)24-9-8-21-17(22)12-25-18(23)11-13-2-1-3-15(20)10-13/h1-7,10H,8-9,11-12H2,(H,21,22).
What are the key properties of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate?
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 365.79 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8642931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).