1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C16H17F3N2O3 — CID 146101860

IUPAC1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)9-21(10-15)14(23)12-5-3-11(4-6-12)8-20-7-1-2-13(20)22/h3-6,24H,1-2,7-10H2
InChIKeyQHEKQDZPENSGRR-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.56
Rot. Bonds3

About 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 146101860) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID146101860
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)9-21(10-15)14(23)12-5-3-11(4-6-12)8-20-7-1-2-13(20)22/h3-6,24H,1-2,7-10H2
InChIKeyQHEKQDZPENSGRR-UHFFFAOYSA-N
XLogP1.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]pyrrolidine-3-carboxylic acid
CID 124695626
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
1-[[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120658389
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
6-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137353
1-[[4-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124595392
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119624264
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55671472
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 146101860) is 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QHEKQDZPENSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)9-21(10-15)14(23)12-5-3-11(4-6-12)8-20-7-1-2-13(20)22/h3-6,24H,1-2,7-10H2.
What are the key properties of 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 342.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146101860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).