2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide

C21H20ClN3O3 — CID 113019614

IUPAC2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O3/c1-2-27-19-6-4-3-5-18(19)25-20-12-9-16(13-23-20)24-21(26)14-28-17-10-7-15(22)8-11-17/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyPKLISZFEXRJOGS-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.89
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide (PubChem CID 113019614) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
PubChem CID113019614
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O3/c1-2-27-19-6-4-3-5-18(19)25-20-12-9-16(13-23-20)24-21(26)14-28-17-10-7-15(22)8-11-17/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyPKLISZFEXRJOGS-UHFFFAOYSA-N
XLogP4.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773
2-(4-chlorophenoxy)-N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021877
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide (CID 113019614) is 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide is CCOc1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide?
The InChIKey is PKLISZFEXRJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-2-27-19-6-4-3-5-18(19)25-20-12-9-16(13-23-20)24-21(26)14-28-17-10-7-15(22)8-11-17/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.89, 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-ethoxyanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113019614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).