2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide

C16H20F3NO2 — CID 110023964

IUPAC2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H20F3NO2/c17-12-8-11(9-13(18)15(12)19)4-7-20-14(21)10-16(22)5-2-1-3-6-16/h8-9,22H,1-7,10H2,(H,20,21)
InChIKeyAZDWBVJZCXEREC-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.85
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide

2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide (PubChem CID 110023964) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
PubChem CID110023964
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H20F3NO2/c17-12-8-11(9-13(18)15(12)19)4-7-20-14(21)10-16(22)5-2-1-3-6-16/h8-9,22H,1-7,10H2,(H,20,21)
InChIKeyAZDWBVJZCXEREC-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537310
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 75388439
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536745
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
CID 111538436
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 137202884

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide (CID 110023964) is 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide is O=C(CC1(O)CCCCC1)NCCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide?
The InChIKey is AZDWBVJZCXEREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-12-8-11(9-13(18)15(12)19)4-7-20-14(21)10-16(22)5-2-1-3-6-16/h8-9,22H,1-7,10H2,(H,20,21).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide is sourced from PubChem (CID 110023964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).