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

C16H12Cl3NO3 — CID 8633362

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-11-5-2-1-4-10(11)8-15(22)23-9-14(21)20-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,21)
InChIKeyKZESKVKKZIAAOS-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.37
Rot. Bonds5

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

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 8633362) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID8633362
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-11-5-2-1-4-10(11)8-15(22)23-9-14(21)20-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,21)
InChIKeyKZESKVKKZIAAOS-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605985
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 8633362) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate is O=C(COC(=O)Cc1ccccc1Cl)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is KZESKVKKZIAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c17-11-5-2-1-4-10(11)8-15(22)23-9-14(21)20-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 372.64 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 8633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).