2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H22BrNO2 — CID 92681011

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C20H22BrNO2/c1-2-14-10-11-19(17(21)12-14)24-13-20(23)22-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18H,2,5,7,9,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyULPKVLKZMNQAOD-GOSISDBHSA-N
MW388.31 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 92681011) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID92681011
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C20H22BrNO2/c1-2-14-10-11-19(17(21)12-14)24-13-20(23)22-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18H,2,5,7,9,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyULPKVLKZMNQAOD-GOSISDBHSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709138
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethylbenzoate
CID 2606918
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-(3-bromo-4-fluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55855389
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873676
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 92681011) is 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ULPKVLKZMNQAOD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22BrNO2/c1-2-14-10-11-19(17(21)12-14)24-13-20(23)22-18-9-5-7-15-6-3-4-8-16(15)18/h3-4,6,8,10-12,18H,2,5,7,9,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 388.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 92681011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).