N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

C14H17F3N2O2 — CID 75494688

IUPACN-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C14H17F3N2O2/c1-10(20)18-12-4-2-3-11(7-12)8-19-6-5-13(21,9-19)14(15,16)17/h2-4,7,21H,5-6,8-9H2,1H3,(H,18,20)
InChIKeyBVZRAPCIDXGGAV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.14
Rot. Bonds3

About N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 75494688) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID75494688
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C14H17F3N2O2/c1-10(20)18-12-4-2-3-11(7-12)8-19-6-5-13(21,9-19)14(15,16)17/h2-4,7,21H,5-6,8-9H2,1H3,(H,18,20)
InChIKeyBVZRAPCIDXGGAV-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
[3-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]urea
CID 173222683
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122029468
N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
CID 99816656
N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide
CID 96528343
N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
CID 120780523
3-[(3,3-difluoropyrrolidin-1-yl)methyl]benzoic acid;hydrochloride
CID 137332046
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 75494688) is N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2CCC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is BVZRAPCIDXGGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10(20)18-12-4-2-3-11(7-12)8-19-6-5-13(21,9-19)14(15,16)17/h2-4,7,21H,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 75494688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).