3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide

C16H15BrFNO2 — CID 26710610

IUPAC3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-11-5-6-13(10-15(11)18)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyGFKVKDHGUTYOQB-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.30
Rot. Bonds5

About 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide

3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 26710610) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID26710610
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-11-5-6-13(10-15(11)18)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyGFKVKDHGUTYOQB-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)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

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-bromobenzoate
CID 2495357
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide (CID 26710610) is 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1F.
What is the InChIKey of 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is GFKVKDHGUTYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-11-5-6-13(10-15(11)18)19-16(20)7-8-21-14-4-2-3-12(17)9-14/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide?
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 352.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 26710610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).