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

C22H22ClN3O2 — CID 113017751

IUPAC2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-15(2)19-5-3-4-6-20(19)26-21-12-9-17(13-24-21)25-22(27)14-28-18-10-7-16(23)8-11-18/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGVYAEBLQAOALKF-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.62
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide (PubChem CID 113017751) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
PubChem CID113017751
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
SMILESCC(C)c1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-15(2)19-5-3-4-6-20(19)26-21-12-9-17(13-24-21)25-22(27)14-28-18-10-7-16(23)8-11-18/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGVYAEBLQAOALKF-UHFFFAOYSA-N
XLogP5.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
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-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021877
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
2-(4-chlorophenoxy)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 60728567
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide (CID 113017751) is 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide is CC(C)c1ccccc1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide?
The InChIKey is GVYAEBLQAOALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15(2)19-5-3-4-6-20(19)26-21-12-9-17(13-24-21)25-22(27)14-28-18-10-7-16(23)8-11-18/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113017751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).