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

C21H20ClN3O2 — CID 113017182

IUPAC2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-14-4-3-5-15(2)21(14)25-19-11-8-17(12-23-19)24-20(26)13-27-18-9-6-16(22)7-10-18/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFAGFFMPZRPKSGX-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.11
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide (PubChem CID 113017182) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
PubChem CID113017182
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-14-4-3-5-15(2)21(14)25-19-11-8-17(12-23-19)24-20(26)13-27-18-9-6-16(22)7-10-18/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFAGFFMPZRPKSGX-UHFFFAOYSA-N
XLogP5.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
CID 113017912
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-[6-(cyclohexylamino)-3-pyridinyl]acetamide
CID 113010077
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
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide (CID 113017182) is 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide is Cc1cccc(C)c1Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide?
The InChIKey is FAGFFMPZRPKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-4-3-5-15(2)21(14)25-19-11-8-17(12-23-19)24-20(26)13-27-18-9-6-16(22)7-10-18/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide has a molecular weight of 381.86 g/mol, XLogP of 5.11, 6 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-(2,6-dimethylanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113017182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).