3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide

C18H19FN2O3 — CID 86992288

IUPAC3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C18H19FN2O3/c1-3-12-6-4-5-7-16(12)24-10-17(22)21-15-9-13(18(20)23)8-14(19)11(15)2/h4-9H,3,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyXXOCDTQJZOOSBH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.81
Rot. Bonds6

About 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide

3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide (PubChem CID 86992288) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
PubChem CID86992288
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(C(N)=O)cc(F)c1C
InChIInChI=1S/C18H19FN2O3/c1-3-12-6-4-5-7-16(12)24-10-17(22)21-15-9-13(18(20)23)8-14(19)11(15)2/h4-9H,3,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyXXOCDTQJZOOSBH-UHFFFAOYSA-N
XLogP2.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 86992293
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 78798614
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide (CID 86992288) is 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide is CCc1ccccc1OCC(=O)Nc1cc(C(N)=O)cc(F)c1C.
What is the InChIKey of 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide?
The InChIKey is XXOCDTQJZOOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-3-12-6-4-5-7-16(12)24-10-17(22)21-15-9-13(18(20)23)8-14(19)11(15)2/h4-9H,3,10H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide?
3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 86992288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).