2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid

C10H9Cl2NO4 — CID 2732298

IUPAC2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyYBLMXSZLRLVNPI-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid

2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid (PubChem CID 2732298) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
PubChem CID2732298
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyYBLMXSZLRLVNPI-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
CID 107363764
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid
CID 99989520
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
2-[2-oxo-2-(1H-pyrazol-5-ylamino)ethoxy]acetic acid
CID 61393398
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
2-[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 51039954
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid (CID 2732298) is 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid?
The InChIKey is YBLMXSZLRLVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid?
2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid has a molecular weight of 278.09 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2732298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).