2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid

C15H11Cl2NO4 — CID 4671678

IUPAC2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-11-6-5-9(7-12(11)17)18-14(19)8-22-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLSKSASDSPLYRBF-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid

2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid (PubChem CID 4671678) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
PubChem CID4671678
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-11-6-5-9(7-12(11)17)18-14(19)8-22-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyLSKSASDSPLYRBF-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126212904
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid (CID 4671678) is 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid is O=C(COc1ccccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid?
The InChIKey is LSKSASDSPLYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-11-6-5-9(7-12(11)17)18-14(19)8-22-13-4-2-1-3-10(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid?
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid has a molecular weight of 340.16 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 4671678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).