2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide

C25H24Cl2N2O5 — CID 67031111

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)c2ccccc2)c1OC
InChIInChI=1S/C25H24Cl2N2O5/c1-15(16-7-5-4-6-8-16)29-23(31)14-34-24-17(9-10-22(32-2)25(24)33-3)21(30)11-18-19(26)12-28-13-20(18)27/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31)
InChIKeyRZTSOPUGHSQOHC-UHFFFAOYSA-N
MW503.38 g/mol
LogP5.09
Rot. Bonds10

About 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide (PubChem CID 67031111) has the molecular formula C25H24Cl2N2O5 and a molecular weight of 503.38 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
PubChem CID67031111
Molecular FormulaC25H24Cl2N2O5
Molecular Weight503.38 g/mol
Exact Mass502.11
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)c2ccccc2)c1OC
InChIInChI=1S/C25H24Cl2N2O5/c1-15(16-7-5-4-6-8-16)29-23(31)14-34-24-17(9-10-22(32-2)25(24)33-3)21(30)11-18-19(26)12-28-13-20(18)27/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31)
InChIKeyRZTSOPUGHSQOHC-UHFFFAOYSA-N
XLogP5.09
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-chloronaphthalen-1-yl)oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 17404543
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(1-phenylethyl)acetamide
CID 21001436
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide (CID 67031111) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)c2ccccc2)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is RZTSOPUGHSQOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5/c1-15(16-7-5-4-6-8-16)29-23(31)14-34-24-17(9-10-22(32-2)25(24)33-3)21(30)11-18-19(26)12-28-13-20(18)27/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 503.38 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 67031111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).