[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate

C19H17Cl2NO4 — CID 1218592

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate
SMILESCC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-5-3-4-12(8-14)19(25)26-10-17(23)15-7-6-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyLJUKYXGVHFVNGC-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.63
Rot. Bonds6

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate (PubChem CID 1218592) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate
PubChem CID1218592
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate
SMILESCC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-5-3-4-12(8-14)19(25)26-10-17(23)15-7-6-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyLJUKYXGVHFVNGC-UHFFFAOYSA-N
XLogP4.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.63
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-(2-methylpropanoylamino)benzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate (CID 1218592) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate is CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate?
The InChIKey is LJUKYXGVHFVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-5-3-4-12(8-14)19(25)26-10-17(23)15-7-6-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate has a molecular weight of 394.25 g/mol, XLogP of 4.63, 6 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-(2-methylpropanoylamino)benzoate is sourced from PubChem (CID 1218592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).