2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide

C17H17BrN2O3 — CID 9090585

IUPAC2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11(12-6-2-4-8-14(12)18)20-16(21)10-23-15-9-5-3-7-13(15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)/t11-/m1/s1
InChIKeyXXTCAXDJOIBHJC-LLVKDONJSA-N
MW377.24 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide

2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 9090585) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID9090585
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11(12-6-2-4-8-14(12)18)20-16(21)10-23-15-9-5-3-7-13(15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)/t11-/m1/s1
InChIKeyXXTCAXDJOIBHJC-LLVKDONJSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
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CID 8866061
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
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(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
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2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 7283926
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
CID 106217638
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 9090585) is 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Br.
What is the InChIKey of 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is XXTCAXDJOIBHJC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(12-6-2-4-8-14(12)18)20-16(21)10-23-15-9-5-3-7-13(15)17(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 377.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 9090585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).