2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide

C17H22FNO3 — CID 112774632

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCC1CCCCC1
InChIInChI=1S/C17H22FNO3/c1-12(20)15-9-14(18)7-8-16(15)22-11-17(21)19-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,19,21)
InChIKeyVVSAFZWIMLTHKN-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.10
Rot. Bonds6

About 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide (PubChem CID 112774632) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
PubChem CID112774632
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCC1CCCCC1
InChIInChI=1S/C17H22FNO3/c1-12(20)15-9-14(18)7-8-16(15)22-11-17(21)19-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,19,21)
InChIKeyVVSAFZWIMLTHKN-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 112774564
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 4794961
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
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-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
CID 112774602
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide (CID 112774632) is 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NCC1CCCCC1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide?
The InChIKey is VVSAFZWIMLTHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(20)15-9-14(18)7-8-16(15)22-11-17(21)19-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide has a molecular weight of 307.37 g/mol, XLogP of 3.10, 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 112774632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).