2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C20H21F3N2O3 — CID 146099258

IUPAC2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCCC1C(O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)13-25-12-4-7-17(25)19(27)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19,27H,4,7,12-13H2,(H,24,26)
InChIKeyVYJXZZGXVIBOEE-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 146099258) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID146099258
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCCC1C(O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)13-25-12-4-7-17(25)19(27)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19,27H,4,7,12-13H2,(H,24,26)
InChIKeyVYJXZZGXVIBOEE-UHFFFAOYSA-N
XLogP3.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide
CID 47092399
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 95347315
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46802147
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(4-pyridin-2-ylpiperidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68873568
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 146099258) is 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCCC1C(O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VYJXZZGXVIBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)13-25-12-4-7-17(25)19(27)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19,27H,4,7,12-13H2,(H,24,26).
What are the key properties of 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 146099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).