2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

C14H21F3N2O3 — CID 111520552

IUPAC2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)NC1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)9-19-8-10(6-12(19)21)18-11(20)7-13(22)4-2-1-3-5-13/h10,22H,1-9H2,(H,18,20)
InChIKeyYWFGUQREEOCXCU-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.35
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (PubChem CID 111520552) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID111520552
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)NC1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)9-19-8-10(6-12(19)21)18-11(20)7-13(22)4-2-1-3-5-13/h10,22H,1-9H2,(H,18,20)
InChIKeyYWFGUQREEOCXCU-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 100639379
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 99809686
2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86948605
2-[1-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 129466521
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (CID 111520552) is 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is O=C(CC1(O)CCCCC1)NC1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is YWFGUQREEOCXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)9-19-8-10(6-12(19)21)18-11(20)7-13(22)4-2-1-3-5-13/h10,22H,1-9H2,(H,18,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 111520552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).