2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide

C27H23ClN2O4 — CID 46087670

IUPAC2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)n2)c1
InChIInChI=1S/C27H23ClN2O4/c1-32-22-13-14-26(33-2)23(16-22)25-8-4-7-24(30-25)18-5-3-6-20(15-18)29-27(31)17-34-21-11-9-19(28)10-12-21/h3-16H,17H2,1-2H3,(H,29,31)
InChIKeyBQNFBHNUJNGBHE-UHFFFAOYSA-N
MW474.94 g/mol
LogP6.10
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide (PubChem CID 46087670) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
PubChem CID46087670
Molecular FormulaC27H23ClN2O4
Molecular Weight474.94 g/mol
Exact Mass474.13
IUPAC Name2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)n2)c1
InChIInChI=1S/C27H23ClN2O4/c1-32-22-13-14-26(33-2)23(16-22)25-8-4-7-24(30-25)18-5-3-6-20(15-18)29-27(31)17-34-21-11-9-19(28)10-12-21/h3-16H,17H2,1-2H3,(H,29,31)
InChIKeyBQNFBHNUJNGBHE-UHFFFAOYSA-N
XLogP6.10
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 46090566
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-[4-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-3-phenylpropanamide
CID 42691756
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668566
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(2-acetyl-4-chlorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 41021404
2-(4-ethoxyphenoxy)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745409
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide (CID 46087670) is 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide is COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)n2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is BQNFBHNUJNGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c1-32-22-13-14-26(33-2)23(16-22)25-8-4-7-24(30-25)18-5-3-6-20(15-18)29-27(31)17-34-21-11-9-19(28)10-12-21/h3-16H,17H2,1-2H3,(H,29,31).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 474.94 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 46087670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).