[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C18H15Cl2NO4 — CID 2605985

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2NO4/c1-11(22)12-5-2-3-8-16(12)21-17(23)10-25-18(24)9-13-14(19)6-4-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyYAMRAIQAYXGJGY-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.92
Rot. Bonds6

About [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2605985) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2605985
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2NO4/c1-11(22)12-5-2-3-8-16(12)21-17(23)10-25-18(24)9-13-14(19)6-4-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyYAMRAIQAYXGJGY-UHFFFAOYSA-N
XLogP3.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 4800695
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718377
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-(2-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583449
[2-(2-acetylanilino)-2-oxoethyl] (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 95633571

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2605985) is [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CC(=O)c1ccccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is YAMRAIQAYXGJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-11(22)12-5-2-3-8-16(12)21-17(23)10-25-18(24)9-13-14(19)6-4-7-15(13)20/h2-8H,9-10H2,1H3,(H,21,23).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 380.23 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2605985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).