[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate

C11H12ClNO3 — CID 134104348

IUPAC[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3
InChIKeyLDRSIEDFSBOUKK-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.87
Rot. Bonds3

About [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate

[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate (PubChem CID 134104348) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
PubChem CID134104348
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3
InChIKeyLDRSIEDFSBOUKK-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate
CID 21157145
[2-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-methylanilino]-2-oxoethyl] acetate
CID 11454627
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
N-(4-chlorophenyl)-N-methyl-3-oxopentanamide
CID 59675998
[2-[4-[(2-acetyloxyacetyl)-(2-methylpropyl)amino]-N-(2-methylpropyl)anilino]-2-oxoethyl] acetate
CID 137491901
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
[2-(acetyloxymethyl)-3,3-bis(4-chlorophenyl)prop-2-enyl] acetate
CID 102045286
4-(4-chloro-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165254
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
CID 46860340

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate (CID 134104348) is [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate?
The InChIKey is LDRSIEDFSBOUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(14)16-7-11(15)13(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3.
What are the key properties of [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate?
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate has a molecular weight of 241.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 134104348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).