2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide

C16H17BrN2O2 — CID 115876092

IUPAC2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
SMILESCc1ccc(CNc2cccc(OCC(N)=O)c2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-5-6-12(7-15(11)17)9-19-13-3-2-4-14(8-13)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyJUMMAZCGGJHAGD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.23
Rot. Bonds6

About 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide

2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide (PubChem CID 115876092) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
PubChem CID115876092
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
SMILESCc1ccc(CNc2cccc(OCC(N)=O)c2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-5-6-12(7-15(11)17)9-19-13-3-2-4-14(8-13)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyJUMMAZCGGJHAGD-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
CID 102832988
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
2-[3-(octylamino)phenoxy]acetamide
CID 43720155

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide (CID 115876092) is 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide is Cc1ccc(CNc2cccc(OCC(N)=O)c2)cc1Br.
What is the InChIKey of 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide?
The InChIKey is JUMMAZCGGJHAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-5-6-12(7-15(11)17)9-19-13-3-2-4-14(8-13)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide?
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 115876092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).