2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide

C16H17Cl2N3O2 — CID 113023590

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-10(2)20-12-4-6-15(19-8-12)21-16(22)9-23-14-5-3-11(17)7-13(14)18/h3-8,10,20H,9H2,1-2H3,(H,19,21,22)
InChIKeyWJJXBROLCBQDPQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.23
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide

2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide (PubChem CID 113023590) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
PubChem CID113023590
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(C)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-10(2)20-12-4-6-15(19-8-12)21-16(22)9-23-14-5-3-11(17)7-13(14)18/h3-8,10,20H,9H2,1-2H3,(H,19,21,22)
InChIKeyWJJXBROLCBQDPQ-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009348
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide (CID 113023590) is 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide is CC(C)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
The InChIKey is WJJXBROLCBQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10(2)20-12-4-6-15(19-8-12)21-16(22)9-23-14-5-3-11(17)7-13(14)18/h3-8,10,20H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide has a molecular weight of 354.24 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113023590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).