2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H15BrF3NO3 — CID 103857325

IUPAC2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15BrF3NO3/c1-9(21-11-4-2-10(14)3-5-11)12(20)18(6-7-19)8-13(15,16)17/h2-5,9,19H,6-8H2,1H3
InChIKeyXWBUHVJNACFNOU-UHFFFAOYSA-N
MW370.17 g/mol
LogP2.60
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103857325) has the molecular formula C13H15BrF3NO3 and a molecular weight of 370.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103857325
Molecular FormulaC13H15BrF3NO3
Molecular Weight370.17 g/mol
Exact Mass369.02
IUPAC Name2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H15BrF3NO3/c1-9(21-11-4-2-10(14)3-5-11)12(20)18(6-7-19)8-13(15,16)17/h2-5,9,19H,6-8H2,1H3
InChIKeyXWBUHVJNACFNOU-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide 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

2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
2-(4-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6467438
1-(4-Acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
CID 2403087
2-(4-bromophenoxy)-N,N-dimethylacetamide
CID 879442
2-(4-bromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 773820
N-[2-(4-bromophenoxy)ethyl]acetamide
CID 16762877
2-(4-bromophenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183124
1-[(4-Bromophenoxy)acetyl]azepane
CID 732340
2-(4-bromophenoxy)-N-prop-2-enylacetamide
CID 1591535
2-(4-Bromophenoxy)-N-(2-(diethylamino)ethyl)ethanimidic acid
CID 217305
2-(3-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6470641

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103857325) is 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XWBUHVJNACFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO3/c1-9(21-11-4-2-10(14)3-5-11)12(20)18(6-7-19)8-13(15,16)17/h2-5,9,19H,6-8H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 370.17 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103857325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).