N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide

C17H17BrN2O3 — CID 39821577

IUPACN-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
SMILESO=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c18-14-6-8-15(9-7-14)23-12-17(22)20-11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyAYETZTKNSIPSPE-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.26
Rot. Bonds7

About N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide

N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide (PubChem CID 39821577) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
PubChem CID39821577
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
SMILESO=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c18-14-6-8-15(9-7-14)23-12-17(22)20-11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyAYETZTKNSIPSPE-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-phenoxyacetamide
CID 309669
2-[(4-Bromophenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
CID 744764
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2106768
2-{4-bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide
CID 2242388
N-benzyl-2-(3-methylphenoxy)acetamide
CID 708636
2-phenoxy-N-(2-phenylethyl)acetamide
CID 309559
N-benzyl-2-{5-bromo-4-[(isobutylamino)methyl]-2-methoxyphenoxy}acetamide
CID 979927
2-(4-Bromo-3-methyl-phenoxy)-N-(2-methoxy-benzyl)-acetamide
CID 1101341
2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2108971
2-(4-Bromophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2907732
N-benzyl-2-(2-bromophenoxy)ethanamine oxalate
CID 2934264

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide (CID 39821577) is N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide is O=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide?
The InChIKey is AYETZTKNSIPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-6-8-15(9-7-14)23-12-17(22)20-11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide?
N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide has a molecular weight of 377.24 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-bromophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 39821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).