2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide

C13H17ClN2O3 — CID 26217578

IUPAC2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESCCCCNC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-2-3-6-16-12(17)8-19-11-5-4-9(14)7-10(11)13(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYCLULDRUBKZBMC-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.73
Rot. Bonds7

About 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide

2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide (PubChem CID 26217578) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
PubChem CID26217578
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESCCCCNC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-2-3-6-16-12(17)8-19-11-5-4-9(14)7-10(11)13(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyYCLULDRUBKZBMC-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
CID 106955557
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
[2-(butylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864446
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide?
The IUPAC name of 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide (CID 26217578) is 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide is CCCCNC(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide?
The InChIKey is YCLULDRUBKZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-3-6-16-12(17)8-19-11-5-4-9(14)7-10(11)13(15)18/h4-5,7H,2-3,6,8H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide?
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide is sourced from PubChem (CID 26217578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).