2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide

C15H20FNO3 — CID 106122071

IUPAC2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CCC(O)CC1
InChIInChI=1S/C15H20FNO3/c16-12-3-7-14(8-4-12)20-10-15(19)17-9-11-1-5-13(18)6-2-11/h3-4,7-8,11,13,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyULYFDQBQDPPARH-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106122071) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106122071
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1CCC(O)CC1
InChIInChI=1S/C15H20FNO3/c16-12-3-7-14(8-4-12)20-10-15(19)17-9-11-1-5-13(18)6-2-11/h3-4,7-8,11,13,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyULYFDQBQDPPARH-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
3-(4-fluorophenyl)sulfanyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106123655
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 133123523
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106122071) is 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(COc1ccc(F)cc1)NCC1CCC(O)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is ULYFDQBQDPPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-12-3-7-14(8-4-12)20-10-15(19)17-9-11-1-5-13(18)6-2-11/h3-4,7-8,11,13,18H,1-2,5-6,9-10H2,(H,17,19).
What are the key properties of 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106122071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).