[2-(3,5-dichloroanilino)-2-oxoethyl] acetate

C10H9Cl2NO3 — CID 716413

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-7(11)2-8(12)4-9/h2-4H,5H2,1H3,(H,13,15)
InChIKeyZRDYEZXYRITUNV-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.49
Rot. Bonds3

About [2-(3,5-dichloroanilino)-2-oxoethyl] acetate

[2-(3,5-dichloroanilino)-2-oxoethyl] acetate (PubChem CID 716413) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] acetate
PubChem CID716413
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-7(11)2-8(12)4-9/h2-4H,5H2,1H3,(H,13,15)
InChIKeyZRDYEZXYRITUNV-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide
CID 115209
Dichlozoline
CID 32253
Ethyl oxanilate
CID 73826
Acetamide, N-(3,5-dichlorophenyl)-
CID 182054
(3-Chloro-phenylamino)-acetic acid ethyl ester
CID 302656
Carbamic acid, (3,5-dichlorophenyl)-, methyl ester
CID 32842
Ethyl (3-chlorophenyl)carbamate
CID 247900
[2-(4-chloroanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 2338802
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24686379
Methyl 4-(3,5-dichloroanilino)-4-oxobutanoate
CID 722013
Acetoxyacetanilide
CID 247117
propan-2-yl N-(3,5-dichlorophenyl)carbamate
CID 2747130

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] acetate (CID 716413) is [2-(3,5-dichloroanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] acetate?
The InChIKey is ZRDYEZXYRITUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-7(11)2-8(12)4-9/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] acetate?
[2-(3,5-dichloroanilino)-2-oxoethyl] acetate has a molecular weight of 262.09 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 716413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).