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

C17H22FNO3 — CID 4794961

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H22FNO3/c1-11-3-6-14(7-4-11)19-17(21)10-22-16-8-5-13(18)9-15(16)12(2)20/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,19,21)
InChIKeyZHSUNBAHJJLBLX-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.10
Rot. Bonds5

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

2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide (PubChem CID 4794961) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
PubChem CID4794961
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H22FNO3/c1-11-3-6-14(7-4-11)19-17(21)10-22-16-8-5-13(18)9-15(16)12(2)20/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,19,21)
InChIKeyZHSUNBAHJJLBLX-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
CID 112774632
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
N-[3-acetyl-4-[2-(cycloheptylamino)-2-oxoethoxy]phenyl]butanamide
CID 31471779
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
2-(2-acetyl-4-chlorophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 7167631
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide (CID 4794961) is 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is ZHSUNBAHJJLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11-3-6-14(7-4-11)19-17(21)10-22-16-8-5-13(18)9-15(16)12(2)20/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 307.37 g/mol, XLogP of 3.10, 5 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 4794961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).