N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide

C12H16BrNO2 — CID 81359041

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQSFBDLKSVPHRTB-SECBINFHSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide (PubChem CID 81359041) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
PubChem CID81359041
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQSFBDLKSVPHRTB-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

2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
ethyl 3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoate
CID 68866417
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8753833
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide (CID 81359041) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide is CCOCC(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide?
The InChIKey is QSFBDLKSVPHRTB-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-16-8-12(15)14-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide?
N-[(1R)-1-(4-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-(4-bromophenyl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 81359041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).