N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C19H22BrNO4 — CID 9090600

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)c(OC)c1OC
InChIInChI=1S/C19H22BrNO4/c1-12(14-7-5-6-8-15(14)20)21-17(22)11-13-9-10-16(23-2)19(25-4)18(13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeySDHORTHRAFPDEV-LBPRGKRZSA-N
MW408.29 g/mol
LogP3.89
Rot. Bonds7

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9090600) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9090600
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)c(OC)c1OC
InChIInChI=1S/C19H22BrNO4/c1-12(14-7-5-6-8-15(14)20)21-17(22)11-13-9-10-16(23-2)19(25-4)18(13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeySDHORTHRAFPDEV-LBPRGKRZSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9089452
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8759712

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9090600) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)c(OC)c1OC.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is SDHORTHRAFPDEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-12(14-7-5-6-8-15(14)20)21-17(22)11-13-9-10-16(23-2)19(25-4)18(13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 408.29 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9090600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).