2-(2-acetamidoethoxy)-5-chlorobenzoic acid

C11H12ClNO4 — CID 60676519

IUPAC2-(2-acetamidoethoxy)-5-chlorobenzoic acid
SMILESCC(=O)NCCOc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(14)13-4-5-17-10-3-2-8(12)6-9(10)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLVRDTIZGAGMVAB-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.55
Rot. Bonds5

About 2-(2-acetamidoethoxy)-5-chlorobenzoic acid

2-(2-acetamidoethoxy)-5-chlorobenzoic acid (PubChem CID 60676519) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-(2-acetamidoethoxy)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-acetamidoethoxy)-5-chlorobenzoic acid
PubChem CID60676519
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-(2-acetamidoethoxy)-5-chlorobenzoic acid
SMILESCC(=O)NCCOc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-7(14)13-4-5-17-10-3-2-8(12)6-9(10)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLVRDTIZGAGMVAB-UHFFFAOYSA-N
XLogP1.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.55
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-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 60676595
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethoxy)-5-chlorobenzoic acid?
The IUPAC name of 2-(2-acetamidoethoxy)-5-chlorobenzoic acid (CID 60676519) is 2-(2-acetamidoethoxy)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(2-acetamidoethoxy)-5-chlorobenzoic acid?
The canonical SMILES for 2-(2-acetamidoethoxy)-5-chlorobenzoic acid is CC(=O)NCCOc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-(2-acetamidoethoxy)-5-chlorobenzoic acid?
The InChIKey is LVRDTIZGAGMVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-7(14)13-4-5-17-10-3-2-8(12)6-9(10)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-acetamidoethoxy)-5-chlorobenzoic acid?
2-(2-acetamidoethoxy)-5-chlorobenzoic acid has a molecular weight of 257.67 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethoxy)-5-chlorobenzoic acid is sourced from PubChem (CID 60676519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).