2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide

C13H16Cl2N2O3 — CID 47115759

IUPAC2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-5-9(14)3-4-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLCINRTYKVUUKIB-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.01
Rot. Bonds6

About 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 47115759) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID47115759
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-5-9(14)3-4-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLCINRTYKVUUKIB-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110615374
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 46419385
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 47115759) is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LCINRTYKVUUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-5-9(14)3-4-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 319.19 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 47115759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).