2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide

C19H22BrNO3 — CID 9048719

IUPAC2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C19H22BrNO3/c1-13(2)19(14-4-8-16(23-3)9-5-14)21-18(22)12-24-17-10-6-15(20)7-11-17/h4-11,13,19H,12H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyBYOOCRYTVHYDHP-LJQANCHMSA-N
MW392.29 g/mol
LogP4.35
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 9048719) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID9048719
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C19H22BrNO3/c1-13(2)19(14-4-8-16(23-3)9-5-14)21-18(22)12-24-17-10-6-15(20)7-11-17/h4-11,13,19H,12H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyBYOOCRYTVHYDHP-LJQANCHMSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 7671319
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51286906
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 9048719) is 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is BYOOCRYTVHYDHP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13(2)19(14-4-8-16(23-3)9-5-14)21-18(22)12-24-17-10-6-15(20)7-11-17/h4-11,13,19H,12H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 9048719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).