2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide

C24H22F3N3O3 — CID 177185716

IUPAC2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccccc1)N[C@H]1CCN(c2cccc(Oc3ccc(C(F)(F)F)nc3)c2)C1
InChIInChI=1S/C24H22F3N3O3/c25-24(26,27)22-10-9-21(14-28-22)33-20-8-4-5-18(13-20)30-12-11-17(15-30)29-23(31)16-32-19-6-2-1-3-7-19/h1-10,13-14,17H,11-12,15-16H2,(H,29,31)/t17-/m0/s1
InChIKeyVBQCYZNOFHRABG-KRWDZBQOSA-N
MW457.45 g/mol
LogP4.67
Rot. Bonds7

About 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide

2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 177185716) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
PubChem CID177185716
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccccc1)N[C@H]1CCN(c2cccc(Oc3ccc(C(F)(F)F)nc3)c2)C1
InChIInChI=1S/C24H22F3N3O3/c25-24(26,27)22-10-9-21(14-28-22)33-20-8-4-5-18(13-20)30-12-11-17(15-30)29-23(31)16-32-19-6-2-1-3-7-19/h1-10,13-14,17H,11-12,15-16H2,(H,29,31)/t17-/m0/s1
InChIKeyVBQCYZNOFHRABG-KRWDZBQOSA-N
XLogP4.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177186053
N-[(3S)-1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185796
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302708
2-(1-methylindol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302783
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide
CID 177185989
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
CID 120613181
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide (CID 177185716) is 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide is O=C(COc1ccccc1)N[C@H]1CCN(c2cccc(Oc3ccc(C(F)(F)F)nc3)c2)C1.
What is the InChIKey of 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VBQCYZNOFHRABG-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c25-24(26,27)22-10-9-21(14-28-22)33-20-8-4-5-18(13-20)30-12-11-17(15-30)29-23(31)16-32-19-6-2-1-3-7-19/h1-10,13-14,17H,11-12,15-16H2,(H,29,31)/t17-/m0/s1.
What are the key properties of 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 457.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 177185716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).