2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide

C13H16FNO3 — CID 71628000

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(14)7-11(12)9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyRILCLSVQDIEURA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds6

About 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide

2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide (PubChem CID 71628000) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
PubChem CID71628000
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(14)7-11(12)9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyRILCLSVQDIEURA-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
CID 112774632
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065
2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 4794961
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
CID 112774602
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 112772148
2-(2-acetyl-5-fluorophenoxy)-N-(cyanomethyl)acetamide
CID 63066965

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide (CID 71628000) is 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(F)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide?
The InChIKey is RILCLSVQDIEURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(14)7-11(12)9(2)16/h4-5,7H,3,6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide?
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide is sourced from PubChem (CID 71628000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).