2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate

C18H18FNO4 — CID 8662514

IUPAC2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESCc1cccc(OCCOC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-13-4-2-7-16(10-13)23-8-9-24-17(21)12-20-18(22)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyPUJWDJKUYIPHIR-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.49
Rot. Bonds7

About 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate

2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662514) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662514
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESCc1cccc(OCCOC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO4/c1-13-4-2-7-16(10-13)23-8-9-24-17(21)12-20-18(22)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyPUJWDJKUYIPHIR-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.49
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-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 16526665
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885455
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate (CID 8662514) is 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate is Cc1cccc(OCCOC(=O)CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is PUJWDJKUYIPHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-13-4-2-7-16(10-13)23-8-9-24-17(21)12-20-18(22)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate?
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 331.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).