2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide

C16H17BrN2O2 — CID 78930303

IUPAC2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
SMILESC[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyHWAVYSFHSMWQGU-LLVKDONJSA-N
MW349.23 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide (PubChem CID 78930303) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
PubChem CID78930303
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
SMILESC[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyHWAVYSFHSMWQGU-LLVKDONJSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 63367424
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide (CID 78930303) is 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide is C[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide?
The InChIKey is HWAVYSFHSMWQGU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide?
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 78930303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).