N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide

C12H16BrNO2 — CID 81396707

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVZULIVCUPBEYKM-SECBINFHSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide

N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide (PubChem CID 81396707) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
PubChem CID81396707
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVZULIVCUPBEYKM-SECBINFHSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
CID 113344955
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776785
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide (CID 81396707) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide is CCOCC(=O)N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide?
The InChIKey is VZULIVCUPBEYKM-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 81396707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).