3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide

C16H13BrN2O2 — CID 26687164

IUPAC3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-2-1-3-15(10-13)21-9-8-16(20)19-14-6-4-12(11-18)5-7-14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyATDSIRJDUYLGDG-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.73
Rot. Bonds5

About 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide

3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide (PubChem CID 26687164) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
PubChem CID26687164
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-2-1-3-15(10-13)21-9-8-16(20)19-14-6-4-12(11-18)5-7-14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyATDSIRJDUYLGDG-UHFFFAOYSA-N
XLogP3.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenoxy)-N-(4-cyanophenyl)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-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
2-(3-bromophenoxy)ethyl 2-(4-cyanophenoxy)acetate
CID 9140855
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
CID 64601175
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide (CID 26687164) is 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide?
The InChIKey is ATDSIRJDUYLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-2-1-3-15(10-13)21-9-8-16(20)19-14-6-4-12(11-18)5-7-14/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide?
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide has a molecular weight of 345.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 26687164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).