3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

C19H18Cl2N2O4 — CID 27833523

About 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide

3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 27833523) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
• PubChem CID: 27833523
• Molecular Formula: C19H18Cl2N2O4
• Molecular Weight: 409.27 g/mol
• Exact Mass: 408.06
• IUPAC Name: 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C19H18Cl2N2O4/c1-2-23(19(25)12-7-13(20)9-14(21)8-12)11-18(24)22-15-3-4-16-17(10-15)27-6-5-26-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,22,24)
• InChIKey: PUKDQHJFBLNJGE-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.27
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?

The IUPAC name of 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide (CID 27833523) is 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?

The canonical SMILES for 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?

The InChIKey is PUKDQHJFBLNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-2-23(19(25)12-7-13(20)9-14(21)8-12)11-18(24)22-15-3-4-16-17(10-15)27-6-5-26-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,22,24).

What are the key properties of 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide?

3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 409.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 27833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).