N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

C19H22BrNO2 — CID 8752279

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-13(2)17-6-4-5-7-18(17)23-12-19(22)21-14(3)15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyVSLXHTSHGOTORO-CQSZACIVSA-N
MW376.29 g/mol
LogP4.83
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 8752279) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID8752279
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-13(2)17-6-4-5-7-18(17)23-12-19(22)21-14(3)15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyVSLXHTSHGOTORO-CQSZACIVSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 8752279) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is VSLXHTSHGOTORO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13(2)17-6-4-5-7-18(17)23-12-19(22)21-14(3)15-8-10-16(20)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.83, 6 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-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 8752279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).