2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C17H15BrF3NO2 — CID 45147940

IUPAC2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyDAXDOOADMWBXAS-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.55
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 45147940) has the molecular formula C17H15BrF3NO2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID45147940
Molecular FormulaC17H15BrF3NO2
Molecular Weight402.21 g/mol
Exact Mass401.02
IUPAC Name2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyDAXDOOADMWBXAS-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]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

(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
2-(3-bromophenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147934
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
3-[2-(3-bromophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119250044
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 45147940) is 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CC(Oc1cccc(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is DAXDOOADMWBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO2/c1-11(24-15-7-3-6-14(18)9-15)16(23)22-10-12-4-2-5-13(8-12)17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 402.21 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 45147940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).