2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate

C18H18FNO5 — CID 8788015

IUPAC2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO5/c1-23-14-8-6-13(7-9-14)18(22)20-12-17(21)25-11-10-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyRMOWHNWWJUMSDK-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.19
Rot. Bonds8

About 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate

2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8788015) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8788015
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO5/c1-23-14-8-6-13(7-9-14)18(22)20-12-17(21)25-11-10-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyRMOWHNWWJUMSDK-UHFFFAOYSA-N
XLogP2.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-(2-fluorophenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 40751117
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788560
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate (CID 8788015) is 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is RMOWHNWWJUMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-14-8-6-13(7-9-14)18(22)20-12-17(21)25-11-10-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate?
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 347.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8788015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).