4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide

C16H17BrN2O2 — CID 82955481

IUPAC4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
SMILESCNC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(19-2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)20/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyCBKZDEVTQWBLQS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide

4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide (PubChem CID 82955481) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
PubChem CID82955481
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
SMILESCNC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(19-2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)20/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyCBKZDEVTQWBLQS-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976164
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-2-fluorobenzonitrile
CID 82955138
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115402282
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545771
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide?
The IUPAC name of 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide (CID 82955481) is 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide is CNC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide?
The InChIKey is CBKZDEVTQWBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(19-2)14-9-12(17)5-8-15(14)21-13-6-3-11(4-7-13)16(18)20/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide?
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide is sourced from PubChem (CID 82955481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).