2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide

C16H15Cl2N3O2 — CID 113009348

IUPAC2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H15Cl2N3O2/c1-2-7-19-15-6-4-12(9-20-15)21-16(22)10-23-14-5-3-11(17)8-13(14)18/h2-6,8-9H,1,7,10H2,(H,19,20)(H,21,22)
InChIKeySKELHASUOFCCSR-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide

2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide (PubChem CID 113009348) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
PubChem CID113009348
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H15Cl2N3O2/c1-2-7-19-15-6-4-12(9-20-15)21-16(22)10-23-14-5-3-11(17)8-13(14)18/h2-6,8-9H,1,7,10H2,(H,19,20)(H,21,22)
InChIKeySKELHASUOFCCSR-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023590
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide (CID 113009348) is 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide is C=CCNc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The InChIKey is SKELHASUOFCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-2-7-19-15-6-4-12(9-20-15)21-16(22)10-23-14-5-3-11(17)8-13(14)18/h2-6,8-9H,1,7,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide has a molecular weight of 352.22 g/mol, XLogP of 4.00, 7 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-[6-(prop-2-enylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).