(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate

C18H18FNO3 — CID 110670877

IUPAC(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
SMILESCCc1cccc(OC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-2-13-4-3-5-16(10-13)23-18(22)12-20-17(21)11-14-6-8-15(19)9-7-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyJSZSNYYSRCLJGJ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.65
Rot. Bonds6

About (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate

(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate (PubChem CID 110670877) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
PubChem CID110670877
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
SMILESCCc1cccc(OC(=O)CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO3/c1-2-13-4-3-5-16(10-13)23-18(22)12-20-17(21)11-14-6-8-15(19)9-7-14/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyJSZSNYYSRCLJGJ-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-ethylphenyl) 2-(3,3-dimethylbutanoylamino)acetate
CID 110670885
(4-fluorophenyl) 2-[(2-phenylacetyl)amino]acetate
CID 174646519
(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442
(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
CID 110670866
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
CID 129162561
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
(3-formylphenyl) 2-(4-fluorophenyl)acetate
CID 39199738
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The IUPAC name of (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate (CID 110670877) is (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate.
What is the SMILES notation for (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The canonical SMILES for (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate is CCc1cccc(OC(=O)CNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
The InChIKey is JSZSNYYSRCLJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-13-4-3-5-16(10-13)23-18(22)12-20-17(21)11-14-6-8-15(19)9-7-14/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate?
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate has a molecular weight of 315.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 110670877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).