2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide

C16H17BrN2O2 — CID 78933587

IUPAC2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
SMILESC[C@@H](N)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)12-5-7-15(8-6-12)21-10-16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyTWONJJXOPNJYAV-LLVKDONJSA-N
MW349.23 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide

2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide (PubChem CID 78933587) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
PubChem CID78933587
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
SMILESC[C@@H](N)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)12-5-7-15(8-6-12)21-10-16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyTWONJJXOPNJYAV-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-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 17161566
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
[2-(3-bromoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 4803885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide (CID 78933587) is 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide is C[C@@H](N)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide?
The InChIKey is TWONJJXOPNJYAV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18)12-5-7-15(8-6-12)21-10-16(20)19-14-4-2-3-13(17)9-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide?
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-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-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 78933587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).