[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate

C18H15Cl2NO4 — CID 1218282

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C18H15Cl2NO4/c1-10-3-4-12(7-16(10)21-11(2)22)18(24)25-9-17(23)14-6-5-13(19)8-15(14)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyDBBRGIUVNLEJBF-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.30
Rot. Bonds5

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate (PubChem CID 1218282) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
PubChem CID1218282
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C18H15Cl2NO4/c1-10-3-4-12(7-16(10)21-11(2)22)18(24)25-9-17(23)14-6-5-13(19)8-15(14)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyDBBRGIUVNLEJBF-UHFFFAOYSA-N
XLogP4.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate (CID 1218282) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate is CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The InChIKey is DBBRGIUVNLEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-10-3-4-12(7-16(10)21-11(2)22)18(24)25-9-17(23)14-6-5-13(19)8-15(14)20/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate has a molecular weight of 380.23 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate is sourced from PubChem (CID 1218282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).