[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone

C14H15BrF3NO2 — CID 103925202

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1
InChIInChI=1S/C14H15BrF3NO2/c1-2-10-8-19(5-6-21-10)13(20)11-4-3-9(15)7-12(11)14(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBPXDWOPEMDJAOT-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.72
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone (PubChem CID 103925202) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
PubChem CID103925202
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1
InChIInChI=1S/C14H15BrF3NO2/c1-2-10-8-19(5-6-21-10)13(20)11-4-3-9(15)7-12(11)14(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBPXDWOPEMDJAOT-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-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

[4-bromo-2-(trifluoromethyl)phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103925345
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
[4-bromo-2-(trifluoromethyl)phenyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 107332950
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107332977
[(3S)-3-aminopyrrolidin-1-yl]-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 107333170
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
[4-bromo-2-(trifluoromethyl)phenyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 103925368
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
[4-bromo-2-(trifluoromethyl)phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 107333137
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone (CID 103925202) is [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)CCO1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is BPXDWOPEMDJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-2-10-8-19(5-6-21-10)13(20)11-4-3-9(15)7-12(11)14(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 366.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103925202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).