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

C16H17BrN2O2 — CID 60905403

IUPAC2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
SMILESNCCc1ccccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-13-5-7-14(8-6-13)19-16(20)11-21-15-4-2-1-3-12(15)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyMVXLFTUJGZVIPI-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.97
Rot. Bonds6

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

2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide (PubChem CID 60905403) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
PubChem CID60905403
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
SMILESNCCc1ccccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-13-5-7-14(8-6-13)19-16(20)11-21-15-4-2-1-3-12(15)9-10-18/h1-8H,9-11,18H2,(H,19,20)
InChIKeyMVXLFTUJGZVIPI-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
[2-(benzylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 42965792
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide (CID 60905403) is 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide is NCCc1ccccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide?
The InChIKey is MVXLFTUJGZVIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-13-5-7-14(8-6-13)19-16(20)11-21-15-4-2-1-3-12(15)9-10-18/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide?
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 60905403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).