N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C19H22FNO4 — CID 9089452

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12(13-5-8-15(20)9-6-13)21-17(22)11-14-7-10-16(23-2)19(25-4)18(14)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeyAGWIZNHVXUSSFQ-GFCCVEGCSA-N
MW347.39 g/mol
LogP3.27
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9089452) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9089452
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-12(13-5-8-15(20)9-6-13)21-17(22)11-14-7-10-16(23-2)19(25-4)18(14)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeyAGWIZNHVXUSSFQ-GFCCVEGCSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 28560333
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9089452) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is AGWIZNHVXUSSFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12(13-5-8-15(20)9-6-13)21-17(22)11-14-7-10-16(23-2)19(25-4)18(14)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9089452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).