2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C15H17F3N2O3 — CID 111430472

IUPAC2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H17F3N2O3/c16-9-3-4-10(14(18)13(9)17)20-12(22)8-19-11(21)7-15(23)5-1-2-6-15/h3-4,23H,1-2,5-8H2,(H,19,21)(H,20,22)
InChIKeyZBHYFNRMRSVVMM-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.85
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 111430472) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID111430472
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H17F3N2O3/c16-9-3-4-10(14(18)13(9)17)20-12(22)8-19-11(21)7-15(23)5-1-2-6-15/h3-4,23H,1-2,5-8H2,(H,19,21)(H,20,22)
InChIKeyZBHYFNRMRSVVMM-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9433362
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111744411
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 111430472) is 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is O=C(CC1(O)CCCC1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is ZBHYFNRMRSVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-9-3-4-10(14(18)13(9)17)20-12(22)8-19-11(21)7-15(23)5-1-2-6-15/h3-4,23H,1-2,5-8H2,(H,19,21)(H,20,22).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 330.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 111430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).