[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate

C16H17Cl2NO5 — CID 143801976

IUPAC[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)c1c(C)c(C(=O)Cl)c(C)c(C(=O)Cl)c1C
InChIInChI=1S/C16H17Cl2NO5/c1-7-12(15(17)22)8(2)14(9(3)13(7)16(18)23)19(5)11(21)6-24-10(4)20/h6H2,1-5H3
InChIKeyFOTSIRIRFKLQDC-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.90
Rot. Bonds5

About [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate

[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate (PubChem CID 143801976) has the molecular formula C16H17Cl2NO5 and a molecular weight of 374.22 g/mol. Its IUPAC name is [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate
PubChem CID143801976
Molecular FormulaC16H17Cl2NO5
Molecular Weight374.22 g/mol
Exact Mass373.05
IUPAC Name[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)c1c(C)c(C(=O)Cl)c(C)c(C(=O)Cl)c1C
InChIInChI=1S/C16H17Cl2NO5/c1-7-12(15(17)22)8(2)14(9(3)13(7)16(18)23)19(5)11(21)6-24-10(4)20/h6H2,1-5H3
InChIKeyFOTSIRIRFKLQDC-UHFFFAOYSA-N
XLogP2.90
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(3,5-dicarbonochloridoyl-2,4,6-trimethylanilino)-2-oxoethyl] acetate;ethane
CID 168948528
[2-(3,5-dicarbamoyl-2,4,6-triiodo-N-methylanilino)-2-oxoethyl] acetate
CID 142740080
[2-[3,5-dicarbonochloridoyl-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-2-oxoethyl] acetate
CID 142745415
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
[3-acetyloxy-2-[[3-[(2-acetyloxyacetyl)amino]-5-carbonochloridoyl-2,4-diiodo-6-methylbenzoyl]amino]propyl] acetate
CID 163978188
chlorosulfanium;ethyl acetate
CID 22238075
(dichloromethane);ethyl acetate
CID 173005314
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
cyclohexane;N,N-dimethylmethanamine;ethyl acetate
CID 166691993
[2-[4-[(2-acetyloxyacetyl)-(2-methylpropyl)amino]-N-(2-methylpropyl)anilino]-2-oxoethyl] acetate
CID 137491901
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate (CID 143801976) is [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(C)c1c(C)c(C(=O)Cl)c(C)c(C(=O)Cl)c1C.
What is the InChIKey of [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate?
The InChIKey is FOTSIRIRFKLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO5/c1-7-12(15(17)22)8(2)14(9(3)13(7)16(18)23)19(5)11(21)6-24-10(4)20/h6H2,1-5H3.
What are the key properties of [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate?
[2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate has a molecular weight of 374.22 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dicarbonochloridoyl-N,2,4,6-tetramethylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 143801976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).