2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide

C19H22BrNO3 — CID 9427335

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NC[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-13(14-7-5-4-6-8-14)12-21-19(22)10-15-9-17(23-2)18(24-3)11-16(15)20/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyJTMUYCLLGPMWRM-ZDUSSCGKSA-N
MW392.29 g/mol
LogP3.93
Rot. Bonds7

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 9427335) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID9427335
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NC[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-13(14-7-5-4-6-8-14)12-21-19(22)10-15-9-17(23-2)18(24-3)11-16(15)20/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyJTMUYCLLGPMWRM-ZDUSSCGKSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 20994903
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
2-(2-bromo-4,5-dimethoxyphenyl)-N-prop-2-enylacetamide
CID 9207575
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide (CID 9427335) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide is COc1cc(Br)c(CC(=O)NC[C@H](C)c2ccccc2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is JTMUYCLLGPMWRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13(14-7-5-4-6-8-14)12-21-19(22)10-15-9-17(23-2)18(24-3)11-16(15)20/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9427335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).