[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C17H14ClF3N2O2 — CID 121017487

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-9-22-6-4-15(14)25-13-5-7-23(10-13)16(24)11-2-1-3-12(8-11)17(19,20)21/h1-4,6,8-9,13H,5,7,10H2
InChIKeyVKLPUZUEKIZVCP-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.05
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 121017487) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID121017487
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-9-22-6-4-15(14)25-13-5-7-23(10-13)16(24)11-2-1-3-12(8-11)17(19,20)21/h1-4,6,8-9,13H,5,7,10H2
InChIKeyVKLPUZUEKIZVCP-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121017876
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 119100273
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 122256214
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122256475
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 121017487) is [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VKLPUZUEKIZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-14-9-22-6-4-15(14)25-13-5-7-23(10-13)16(24)11-2-1-3-12(8-11)17(19,20)21/h1-4,6,8-9,13H,5,7,10H2.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 370.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121017487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).