(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C17H14BrF3N2O2 — CID 91625432

IUPAC(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C17H14BrF3N2O2/c18-13-3-1-2-11(8-13)16(24)23-7-5-14(10-23)25-15-9-12(4-6-22-15)17(19,20)21/h1-4,6,8-9,14H,5,7,10H2
InChIKeyDHIWZMURNOISKO-UHFFFAOYSA-N
MW415.21 g/mol
LogP4.16
Rot. Bonds3

About (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 91625432) has the molecular formula C17H14BrF3N2O2 and a molecular weight of 415.21 g/mol. Its IUPAC name is (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID91625432
Molecular FormulaC17H14BrF3N2O2
Molecular Weight415.21 g/mol
Exact Mass414.02
IUPAC Name(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C17H14BrF3N2O2/c18-13-3-1-2-11(8-13)16(24)23-7-5-14(10-23)25-15-9-12(4-6-22-15)17(19,20)21/h1-4,6,8-9,14H,5,7,10H2
InChIKeyDHIWZMURNOISKO-UHFFFAOYSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrimidin-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738519
(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430
[4-(trifluoromethoxy)phenyl]-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738209
phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
CID 91625422
furan-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100737713
2-chloro-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 117054478
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]benzonitrile
CID 122251461
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91625419
2-naphthalen-1-yl-1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 100737650
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793
ethyl 4-oxo-4-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]butanoate
CID 91625429

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 91625432) is (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is DHIWZMURNOISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O2/c18-13-3-1-2-11(8-13)16(24)23-7-5-14(10-23)25-15-9-12(4-6-22-15)17(19,20)21/h1-4,6,8-9,14H,5,7,10H2.
What are the key properties of (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 415.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91625432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).