N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide

C18H20BrNO3 — CID 9218863

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-22-16-8-10-17(11-9-16)23-12-18(21)20-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyAMAOGYNVMPCJBK-ZDUSSCGKSA-N
MW378.27 g/mol
LogP4.10
Rot. Bonds7

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 9218863) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID9218863
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-22-16-8-10-17(11-9-16)23-12-18(21)20-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyAMAOGYNVMPCJBK-ZDUSSCGKSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43915360
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide (CID 9218863) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is AMAOGYNVMPCJBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-22-16-8-10-17(11-9-16)23-12-18(21)20-13(2)14-4-6-15(19)7-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 9218863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).