[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate

C17H14Cl2N2O4 — CID 7722951

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H14Cl2N2O4/c1-10(22)20-12-3-2-4-13(8-12)21-16(23)9-25-17(24)14-7-11(18)5-6-15(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyOIFIQTZAGMMXEF-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.75
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate

[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 7722951) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID7722951
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H14Cl2N2O4/c1-10(22)20-12-3-2-4-13(8-12)21-16(23)9-25-17(24)14-7-11(18)5-6-15(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyOIFIQTZAGMMXEF-UHFFFAOYSA-N
XLogP3.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-(3-nitroanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 2466637
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(3-acetylanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950588
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(3-acetamidoanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149168
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate (CID 7722951) is [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is OIFIQTZAGMMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-10(22)20-12-3-2-4-13(8-12)21-16(23)9-25-17(24)14-7-11(18)5-6-15(14)19/h2-8H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 381.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7722951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).