2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide

C16H17BrN2O2 — CID 43693359

IUPAC2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-18-16(20)11-21-15-4-2-3-14(9-15)19-10-12-5-7-13(17)8-6-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyBLAUSCKLUUYPLT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.19
Rot. Bonds6

About 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide

2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide (PubChem CID 43693359) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
PubChem CID43693359
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-18-16(20)11-21-15-4-2-3-14(9-15)19-10-12-5-7-13(17)8-6-12/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyBLAUSCKLUUYPLT-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide (CID 43693359) is 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NCc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide?
The InChIKey is BLAUSCKLUUYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-16(20)11-21-15-4-2-3-14(9-15)19-10-12-5-7-13(17)8-6-12/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide?
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide has a molecular weight of 349.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 43693359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).