N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide

C18H15FN2O3 — CID 4785278

IUPACN-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15FN2O3/c1-2-16(22)15-9-13(19)6-7-17(15)24-11-18(23)21-14-5-3-4-12(8-14)10-20/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyOVTTVCYRBAAHKU-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.31
Rot. Bonds6

About N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide

N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide (PubChem CID 4785278) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide
PubChem CID4785278
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15FN2O3/c1-2-16(22)15-9-13(19)6-7-17(15)24-11-18(23)21-14-5-3-4-12(8-14)10-20/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyOVTTVCYRBAAHKU-UHFFFAOYSA-N
XLogP3.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 16508092
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide (CID 4785278) is N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide is CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide?
The InChIKey is OVTTVCYRBAAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-16(22)15-9-13(19)6-7-17(15)24-11-18(23)21-14-5-3-4-12(8-14)10-20/h3-9H,2,11H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide?
N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide has a molecular weight of 326.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-fluoro-2-propanoylphenoxy)acetamide is sourced from PubChem (CID 4785278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).