N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide

C13H17Cl2NO2 — CID 114306028

IUPACN-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
SMILESCC(CCCl)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-10(5-6-14)8-16-13(17)9-18-12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyYBZADBQFOGXWKO-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.10
Rot. Bonds7

About N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide

N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide (PubChem CID 114306028) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
PubChem CID114306028
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC NameN-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
SMILESCC(CCCl)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-10(5-6-14)8-16-13(17)9-18-12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyYBZADBQFOGXWKO-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-(4-chloro-2-methylbutyl)-3-(3-methylphenoxy)propanamide
CID 113273658
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide (CID 114306028) is N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide is CC(CCCl)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide?
The InChIKey is YBZADBQFOGXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-10(5-6-14)8-16-13(17)9-18-12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide?
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide has a molecular weight of 290.19 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 114306028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).