2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide

C21H17Cl2N3O4 — CID 1012475

IUPAC2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H17Cl2N3O4/c22-14-4-8-16(9-5-14)29-12-20(27)25-18-2-1-3-19(24-18)26-21(28)13-30-17-10-6-15(23)7-11-17/h1-11H,12-13H2,(H2,24,25,26,27,28)
InChIKeyYWFNFYOPSURCEJ-UHFFFAOYSA-N
MW446.29 g/mol
LogP4.42
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide (PubChem CID 1012475) has the molecular formula C21H17Cl2N3O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
PubChem CID1012475
Molecular FormulaC21H17Cl2N3O4
Molecular Weight446.29 g/mol
Exact Mass445.06
IUPAC Name2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H17Cl2N3O4/c22-14-4-8-16(9-5-14)29-12-20(27)25-18-2-1-3-19(24-18)26-21(28)13-30-17-10-6-15(23)7-11-17/h1-11H,12-13H2,(H2,24,25,26,27,28)
InChIKeyYWFNFYOPSURCEJ-UHFFFAOYSA-N
XLogP4.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
2-(2-chlorophenoxy)-N-[6-[[2-(2-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1342446
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820485
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30884754
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide (CID 1012475) is 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide?
The InChIKey is YWFNFYOPSURCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4/c22-14-4-8-16(9-5-14)29-12-20(27)25-18-2-1-3-19(24-18)26-21(28)13-30-17-10-6-15(23)7-11-17/h1-11H,12-13H2,(H2,24,25,26,27,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide has a molecular weight of 446.29 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 1012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).